URMC-099 - Moligand™, ≥96% , Inhibitor of cyclin dependent kinase like 2;Inhibitor of death associated protein kinase 3;Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of leucine rich repeat kinase 2;Inhibitor of mitogen-activated protein ki, Inhibitor of cyclin dependent kinase like 2;Inhibitor of death associated protein kinase 3;Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of leucine rich repeat kinase 2;Inhibitor of mitogen-activated protein kinase kinase kinase 10;Inhibit

CAS: 1229582-33-5 Cat. No.: U275952 Formule: C₂₇H₂₇N₅ Poids moléculaire: 421.54 PubChem CID: 54764565

QUALITÉ & PURETÉ Moligand™, ≥96%

Synonyms

3-(1H-Indol-5-yl)-5-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-1Hpyrrolo[2,3-b]pyridine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Shipped at room temperature. Store at -20°C.

Spécifications

Synonymes

3-(1H-Indol-5-yl)-5-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-1Hpyrrolo[2,3-b]pyridine

Spécifications et pureté

Moligand™, ≥96%

Mécanismes biochimiques et physiologiques

Novel orally bioavailable, brain penetrant\xa0mixed lineage kinase (MLK) inhibitor (IC 50 values of 19, 42, 14, and 150 nM for MLK1, MLK2, MLK3, and the related MLK family member DLK, respectively).

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of cyclin dependent kinase like 2;Inhibitor of death associated protein kinase 3;Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of leucine rich repeat kinase 2;Inhibitor of mitogen-activated protein kinase kinase kinase 10;Inhibit

Note

Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥96%

Noms et identifiants

Pubchem Sid

504771397

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771397

Sourires canoniques

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC6=C(C=C5)NC=C6)N=C3

IUPAC Name

3-(1H-indol-5-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine

InChIKey

QKKIWEILHCXECO-UHFFFAOYSA-N

INCHI

1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)

Isomères SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC6=C(C=C5)NC=C6)N=C3

PubChem CID

54764565

Poids moléculaire

421.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyrrolopyridines Indoles Phenylmethylamines Benzylamines N-methylpiperazines Aralkylamines Substituted pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyridine - Indole - Indole or derivatives - Pyrrolopyridine - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Benzenoid - 1,4-diazinane - Substituted pyrrole - Monocyclic benzene moiety - Piperazine - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

CDKL2 Tchem Cyclin-dependent kinase-like 2 (0 Activities)

Discover Target: CDKL2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DLK1 Tchem Protein delta homolog 1 (2 Activities)

Discover Target: DLK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DAPK3 Tchem Death-associated protein kinase 3 (1 Activities)

Discover Target: DAPK3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SRPK2 Tchem SRSF protein kinase 2 (0 Activities)

Discover Target: SRPK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FLT3 Tclin Receptor-type tyrosine-protein kinase FLT3 (2 Activities)

Discover Target: FLT3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TNIK Tchem TRAF2 and NCK-interacting protein kinase (1 Activities)

Discover Target: TNIK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAP3K10 Tchem Mitogen-activated protein kinase kinase kinase 10 (1 Activities)

Discover Target: MAP3K10

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 (2 Activities)

Discover Target: LRRK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAP3K11 Tchem Mitogen-activated protein kinase kinase kinase 11 (2 Activities)

Discover Target: MAP3K11

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAP3K2 Tchem Mitogen-activated protein kinase kinase kinase 2 (1 Activities)

Discover Target: MAP3K2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL1 (2 Activities)

Discover Target: ABL1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAP3K9 Tchem Mitogen-activated protein kinase kinase kinase 9 (2 Activities)

Discover Target: MAP3K9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

INSR Tclin Insulin receptor (5558 Activities)

Discover Target: INSR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)

Discover Target: PDGFRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

Discover Target: IGF1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KIT Tclin Stem cell growth factor receptor (10667 Activities)

Discover Target: KIT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK11 Tchem MAP kinase p38 beta (2785 Activities)

Discover Target: MAPK11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

Discover Target: MAPK14

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

Discover Target: AKT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKT3 Tchem Serine/threonine-protein kinase AKT3 (3157 Activities)

Discover Target: AKT3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHUK Tchem Inhibitor of nuclear factor kappa B kinase alpha subunit (3170 Activities)

Discover Target: CHUK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)

Discover Target: IKBKB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)

Discover Target: AURKB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

Discover Target: ROCK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)

Discover Target: SYK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RPS6KA1 Tchem Ribosomal protein S6 kinase alpha 1 (2796 Activities)

Discover Target: RPS6KA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RPS6KA6 Tchem Ribosomal protein S6 kinase alpha 6 (2027 Activities)

Discover Target: RPS6KA6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FLT1 Tclin Vascular endothelial growth factor receptor 1 (6262 Activities)

Discover Target: FLT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK13 Tchem MAP kinase p38 delta (2605 Activities)

Discover Target: MAPK13

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ROCK2 Tclin Rho-associated protein kinase 2 (6206 Activities)

Discover Target: ROCK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MET Tclin Hepatocyte growth factor receptor (10718 Activities)

Discover Target: MET

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK3 Tchem MAP kinase ERK1 (4725 Activities)

Discover Target: MAPK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP3K11 Tchem Mitogen-activated protein kinase kinase kinase 11 (808 Activities)

Discover Target: MAP3K11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP3K10 Tchem Mitogen-activated protein kinase kinase kinase 10 (401 Activities)

Discover Target: MAP3K10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NTRK1 Tclin Nerve growth factor receptor Trk-A (7922 Activities)

Discover Target: NTRK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP3K9 Tchem Mitogen-activated protein kinase kinase kinase 9 (945 Activities)

Discover Target: MAP3K9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK1 Tchem Cyclin-dependent kinase 1 (3927 Activities)

Discover Target: CDK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ZAP70 Tchem Tyrosine-protein kinase ZAP-70 (2189 Activities)

Discover Target: ZAP70

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

Discover Target: MAPK8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYK2 Tclin Tyrosine-protein kinase TYK2 (5029 Activities)

Discover Target: TYK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SGK1 Tchem Serine/threonine-protein kinase Sgk1 (2343 Activities)

Discover Target: SGK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK12 Tchem MAP kinase p38 gamma (2776 Activities)

Discover Target: MAPK12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKC Tchem Serine/threonine-protein kinase Aurora-C (1780 Activities)

Discover Target: AURKC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MARK2 Tchem MAP/microtubule affinity-regulating kinase 2 (2524 Activities)

Discover Target: MARK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CLK1 Tchem Dual specificty protein kinase CLK1 (2189 Activities)

Discover Target: CLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CLK2 Tchem Dual specificity protein kinase CLK2 (3942 Activities)

Discover Target: CLK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CLK4 Tchem Dual specificity protein kinase CLK4 (4053 Activities)

Discover Target: CLK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TNIK Tchem TRAF2- and NCK-interacting kinase (1174 Activities)

Discover Target: TNIK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Cdk4 Cyclin-dependent kinase 4 (3 Activities)

Discover Target: Cdk4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Klebsiella pneumoniae (43867 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Acinetobacter baumannii (41033 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cryptococcus neoformans (21258 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Brain (1 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO to 50 mM
• Poids moléculaire: 421.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 421.227 Da
• Monoisotopic Mass: 421.227 Da
• Topological Polar Surface Area: 51.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 611.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Application Protocols

Tested application details (e.g., specific assay protocols, concentrations, or biological systems) are not provided for this item.

• Manufacturer Applications: Not specified beyond “For research use only.”
• Recommended dilutions, controls, or positive standards: Not specified for this item; refer to your internal SOPs and literature precedents relevant to your model system.

Please consult the scientific literature for protocol exemplars relevant to your use case, and validate conditions within your lab’s quality system.

Biological Roles

Biological context is provided at a literature level for orientation and must not be construed as item-specific performance claims. Always validate in your system.

• Compound class: URMC-099 is reported in the literature as a small-molecule kinase-pathway modulator used as a chemical tool in signaling studies.
• Pathway context (literature): Frequently used to interrogate MAPK-related signaling cascades in cells through small-molecule inhibition paradigms. Specific target annotations for this catalog item are not provided; consult primary references for target profiles.
• Typical uses:
  • Probe-dependent modulation of intracellular signaling for mechanism studies.
  • Benchmarking in kinase panel assays to map relative selectivity (requires orthogonal verification).
• Considerations:
  • Off-target interactions can shape phenotypes; employ concentration–response, counterscreens, and chemical orthogonalization (alternate chemotype) to strengthen conclusions.
  • Protein binding, efflux, and metabolic stability can affect apparent potency; align in vitro biochemical potency with cellular target engagement (e.g., NanoBRET, CETSA) for robust interpretation.

Important limitations:

• No medical or clinical claims are made. This product is for research use only.
• Target specificity, potency, and selectivity for this item are not specified; rely on your own assays and the scientific literature.

Buffer Applications

Not typically applicable. URMC-099 is a bioactive small molecule, not a buffering agent. It does not define pH or ionic strength in solution.

Practical note:

• When preparing working solutions, buffer choice should support your biological assay (e.g., HEPES or phosphate buffers for enzyme/cell assays). Maintain low final organic cosolvent (e.g., DMSO) fractions to avoid perturbing buffer capacity or biological systems.
• Filter and verify that no precipitation occurs upon dilution of DMSO stocks into the selected buffer.

For buffer system selection and preparation, consult standard biochemical buffer references; this product does not serve as a buffer component.

Green Alternatives

As a bioactive small molecule used primarily as a probe in discovery biology, URMC-099 itself is not readily substitutable by a “green” alternative without altering biological outcomes. However, greener choices can be made in handling and assay workflows.

Greener practice levers (general guidance):

• Solvent choices for preparation and analysis:
  • Prefer ethanol or water-miscible greener cosolvents where compatible with solubility and assay tolerance. DMSO remains common but should be minimized in final assay concentration.
  • For LC analyses, consider water–acetonitrile over water–methanol when waste reduction or energy use favors one at your site; both have different EHS profiles.
• Waste minimization:
  • Use micro-volume stock preparation and plate-based assays to reduce solvent/compound waste.
  • Implement solvent recycling for preparative steps where feasible.
• Energy & storage:
  • Consolidate cold storage and use secondary containment to maintain temperature efficiently; plan aliquots to avoid repeated freeze–thaw, reducing waste.

Trade-offs:

• Switching away from DMSO may reduce solubility and introduce assay artifacts (precipitation, variable exposure). Always verify recovery and activity after solvent changes.

Note: Because this is a specific bioactive entity, any structural substitution to pursue “greener” scaffolds would constitute a different probe and must be revalidated biologically.

Pharmaceutical Uses

This product is provided strictly for research use only and is not intended for human or veterinary use, drug substance manufacture, or clinical applications.

• Pharmacopeial status: Not specified; URMC-099 is provided as a research chemical, not a USP/EP/JPE compendial material.
• Formulation role: As a research tool compound, it may be formulated into DMSO stocks and subsequently diluted for in vitro or ex vivo experiments. Any preclinical formulation development is outside the scope of this catalog item.
• Regulatory: No regulatory filings or GMP claims are associated with this product.

If you seek a material for regulated development, contact your quality organization to assess requirements for GMP sourcing, full impurity profiling, stability programs, and documentation. For this listing, rely on the CoA/SDS for research documentation only.

Physical Properties

Item-specific physicochemical specifications have not been provided in this listing.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not applicable/rarely reported for complex bioactive solids; Not specified for this item.
• Density: Not specified for this item.
• LogP/cLogP, pKa, PSA: Not specified for this item; consult literature/CoA.
• Solubility: Not specified for this item. General literature practice for kinase-focused small molecules is to prepare concentrated stocks in anhydrous DMSO, then dilute into assay buffers as needed.
• UV–Vis characteristics: Not specified for this item.

General guidance (literature-level, non-specification):

• Many heteroaromatic kinase ligands exhibit moderate-to-high lipophilicity and limited aqueous solubility at neutral pH, with good solubility in DMSO and DMF. URMC-099 is commonly handled as a DMSO stock in research reports, though exact solubility for this item must be verified experimentally or via the CoA.

Always rely on the product’s CoA/Spec Sheet for lot-specific values and on your internal method suitability tests to qualify the compound for your application.

Quality and Grades

• Grade/Purity: Moligand™ (from product data)

What Moligand™ signifies:

• Moligand™ is Aladdin’s designation for small-molecule ligands suitable for discovery screening, chemical biology, and target validation workflows. Emphasis is placed on identity confirmation and high assay compatibility rather than chromatographic baseline specifications like HPLC UV cutoff.
• Typical expectations include NMR/MS identity, and purity suitable for biochemical/cellular assays; exact acceptance criteria and measured values are lot-specific and provided on the CoA.

Item-specific details:

• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
• Residual solvents, water content, metal content, and specific impurity limits: Not specified for this item; refer to CoA/Spec Sheet.

Implications for use:

• For quantitative biology or SAR, confirm purity and identity via the provided CoA and, if needed, orthogonal in-house methods (qNMR, HPLC-UV/ELSD/MS).
• For sensitive optical or electrophysiological readouts, consider assessing background absorbance/fluorescence of the lot in your assay medium.

Documentation:

• A detailed Certificate of Analysis and Safety Data Sheet accompany the product shipment. Use these documents for method validation, regulatory filings in research contexts, and internal quality records.

Reaction and Applications

This product is supplied as a research-grade small-molecule ligand for discovery biology and chemical probe applications rather than as a synthetic reagent.

Research and screening applications (literature-level, non-clinical):

• Chemical biology: Use as a small-molecule modulator in pathway dissection studies, target engagement assays (e.g., CETSA, NanoBRET), and phenotypic screening.
• Assay development: Suitable for establishing positive controls, potency-ranking in kinase panels, and selectivity profiling alongside orthogonal readouts.
• Tool-compound practices: Validate identity/purity, prepare fresh or aliquoted DMSO stocks, and confirm on-target engagement by biochemical plus cellular assays to mitigate off-target interpretations.

Practical tips:

• Pre-screen solubility in DMSO across a concentration range (e.g., 1–50 mM) and check for precipitation upon dilution into buffers/media.
• Filter sterilize assay working solutions where needed (0.22 μm PTFE or PVDF compatible with organic cosolvents) and monitor for adsorption losses.
• For long experiments, assess chemical stability under assay conditions (light, temperature, pH, protein binding) by LC–MS.

Note: Any references to biochemical pathways or putative targets for URMC-099 should be verified from primary literature; target specificity for this item is not specified in the product data and should not be inferred without experimental confirmation.

Reaction Conditions

Not directly applicable as a synthetic reagent. However, preparation and use in biological experiments require attention to solution handling and stability (general, literature-level guidance):

• Stock solutions: Commonly prepared in anhydrous DMSO at high concentration; determine solubility empirically. Store aliquots at −20 °C under inert gas to minimize degradation. Avoid repeated freeze–thaw.
• Working solutions: Prepare immediately before use by diluting DMSO stocks into assay buffer or media with thorough mixing to prevent precipitation. Keep final organic solvent within system tolerance.
• Light/temperature: Protect from prolonged light exposure and excessive heat during assay setup; monitor stability by LC–MS where data integrity is critical.
• Plastics interaction: Assess nonspecific binding to plastics at low concentrations; pre-rinse or use low-bind labware as needed.

No specific catalytic, temperature, or time conditions are provided for chemical reactions involving this compound in this catalog entry. For any chemical transformations or conjugations you may plan, consult the primary literature and verify compatibility experimentally.

Safety and Handling

Safety information specific to this item has not been provided in the listing; consult the SDS supplied with the product for authoritative guidance.

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word / H-Statements / Pictograms: Not specified for this item; refer to SDS.
• Storage conditions (from product data): Store at −20 °C, under argon (argon-charged). Shipments are sent in an ice chest with ice pads to maintain low temperature.

General laboratory PPE and controls:

• Wear appropriate PPE: lab coat, safety glasses, and compatible chemical-resistant gloves.
• Handle in a fume hood to avoid inhalation of dust or aerosols. Avoid skin and eye contact.
• Prevent moisture ingress and oxygen exposure during storage and weighing if the compound is air/moisture sensitive (argon blanket as indicated).

Incompatibilities and precautions (general):

• Keep away from strong oxidizers and strong acids/bases until compatibility is known.
• Avoid repeated freeze–thaw of solutions; prepare single-use aliquots where possible.

First-aid overview (general):

• Inhalation: Move to fresh air; seek medical attention if symptoms persist.
• Skin/eye contact: Rinse with water for several minutes; remove contaminated clothing; obtain medical advice if irritation continues.
• Ingestion: Rinse mouth; seek medical attention.

Always defer to the SDS and your institutional EHS policies for risk assessment and safe handling procedures.

Solvent Selection

URMC-099 is a heteroaromatic small-molecule ligand commonly handled as a concentrated DMSO stock for biological assays.

General, literature-level guidance (not item-specific specifications):

• Primary solvent for stocks: Anhydrous DMSO is typically preferred due to broad solvating power for kinase-oriented scaffolds.
• Alternative solvents for screening: DMF, ethanol (absolute), or acetonitrile may be used depending on solubility; confirm compatibility with your assay and compound stability.
• Aqueous media: Direct aqueous solubility may be limited near neutral pH. For cell or enzyme assays, dilute DMSO stocks into buffer immediately before use to keep final DMSO ≤0.1–1% v/v, as tolerated by the system.
• Polarity/miscibility context: DMSO and DMF are high-dielectric, fully miscible with water; ethanol and acetonitrile offer lower polarity with different evaporation profiles that may be beneficial in certain high-throughput settings.

Selection tips:

• Choose DMSO for maximum solubility and chemical stability screening.
• Use acetonitrile for LC method development and rapid evaporation needs.
• Employ ethanol where biological systems require reduced DMSO; verify solubility and precipitation risk upon dilution.

Important: Actual solubility, stability, and UV cutoff for this item are not specified here—verify empirically and consult the CoA/SDS.

Storage and Reconstitution

Storage conditions (from product data):

• Store at −20 °C, under argon (argon charged).
• Shipped in an ice chest with ice pads to maintain low temperature during transit.

Reconstitution:

• Specific reconstitution instructions are not provided for this item; refer to CoA/Spec Sheet. General practice for small-molecule probes is to prepare concentrated stocks in anhydrous DMSO using inert-atmosphere handling where sensitivity is suspected, then aliquot and freeze.

Handling tips (general):

• Allow container to reach room temperature in a desiccated environment before opening to minimize moisture condensation.
• If aliquoting solutions, use dry, inerted vials; purge headspace with argon before freezing.
• Avoid repeated freeze–thaw cycles by preparing single-use aliquots.

Shelf life and stability:

• Not specified for this item; refer to CoA/Spec Sheet and SDS. Confirm stability in your specific solvent system by periodic analytical checks (e.g., LC–MS).

Always follow your institutional SOPs for storage, chemical inventory, and disposal.

Structure and Identity

URMC-099 is a small-molecule research ligand supplied under Aladdin's Moligand grade for screening and chemical biology. Item-specific structural identifiers are provided where available.

• SKU: U275952
• Product Name: URMC-099
• CAS: 1229582-33-5
• PubChem CID: 54764565 (literature identifier)
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Product data lists "299320", which is not a standard InChIKey format; consult CoA/SDS.)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general, literature-level):

• URMC-099 is widely described in the literature as a heteroaromatic kinase-ligand scaffold designed for ATP-site engagement. Specific ring systems and substituents should be confirmed from primary references/CoA for this lot.
• 2D description (general): a polycyclic/heteroaryl core bearing basic side chains commonly seen in kinase-focused libraries; functional groups often include H-bond donors/acceptors for hinge binding. Exact functionalities for this catalog item are not specified here.

Notes:

• For definitive structure (SMILES, InChI, stereochemistry) and lot-traceable identity testing, please consult the Certificate of Analysis and/or Spectral Data provided with shipment.

Synthetic Utility

URMC-099 is supplied as a finished bioactive small molecule rather than as a general-purpose synthetic building block. Consequently, its role in synthesis is limited and typically centered on analog preparation and SAR studies.

Useful perspectives (general):

• Derivatization for SAR: Researchers may use URMC-099 as a reference chemotype to design analogs that explore hinge-binding motifs, solubilizing side chains, or vector positions for potency/selectivity tuning. Such efforts require independent synthesis; this catalog item itself is not a protected intermediate.
• Probing structure–property relationships: Modifications to heteroaryl cores and cationic side chains often modulate solubility, permeability, and kinase selectivity landscapes.
• Analytical development: The compound can serve as a reference in developing LC–MS methods (retention behavior, ionization response) for related scaffolds.

Limitations:

• No named-reaction utility or functional-group handles are specified for this item. Attempting late-stage diversification of the supplied material without structural confirmation risks degradation or loss of activity.

For synthetic campaigns, consult primary literature on URMC-099 and related chemotypes for retrosynthetic analysis and route scouting. This listing does not include route details or intermediate specifications.

Target Specificity

Not specified for this item; refer to CoA/Spec Sheet and primary literature. This catalog entry does not provide target annotations, potency, or selectivity data.

Notes:

• If using URMC-099 as a pathway probe, independently confirm target engagement and off-target profile in your assay system (e.g., biochemical assays, NanoBRET/CETSA, chemoproteomics), and consult peer-reviewed sources for guidance.
• No claims are made regarding biological targets for this product.

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1229582-33-5, the molecular formula is C27H27N5, and the molecular weight is 421.54 g/mol. InChIKey QKKIWEILHCXECO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.