U0126 - Moligand™, ≥98% , CAS No.109511-58-2

CAS: 109511-58-2 Cat. No.: U274745 Formula: C₁₈H₁₆N₆S₂ Molecular Weight: 380.49 PubChem CID: 3006531

GRADE & PURITY Moligand™, ≥98%

Synonyms

1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene | bis[Amino[(2-aminophenyl)thio]methylene]-butanedinitrile (9CI) | bis[Amino(o-aminophenylthio)methylene]-succinonitrile (6CI) | 2,3-Bis[amino[(2-aminophenyl)thio]methylene]butanedinitrile | U015

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene | bis[Amino[(2-aminophenyl)thio]methylene]-butanedinitrile (9CI) | bis[Amino(o-aminophenylthio)methylene]-succinonitrile (6CI) | 2,3-Bis[amino[(2-aminophenyl)thio]methylene]butanedinitrile | U015

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Selective non-competitive inhibitor of MAP kinase kinase (MKK). Inhibits MKK1, MKK2 (IC 50 values of 0.07 and 0.06 μM, respectively) and MKK5 with little or no effect on a wide range of other kinases. Centrally active following systemic administration in

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

Pubchem Sid

504762284

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762284

Canonical Smiles

C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N

IUPAC Name

(2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile

InChIKey

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

INCHI

1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+

Isomeric SMILES

C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\N)/C#N)\C#N)/N

PubChem CID

3006531

Molecular Weight

380.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Aniline and substituted anilines Ketene acetals Sulfenyl compounds Nitriles Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Ketene acetal or derivatives - Carbonitrile - Sulfenyl compound - Nitrile - Amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• External Descriptors: substituted aniline - enamine - dinitrile

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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

PRKCZ Tchem Protein kinase C zeta (2414 Activities)

Discover Target: PRKCZ

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

MAP2K6 Tchem Dual specificity mitogen-activated protein kinase kinase 6 (1284 Activities)

Discover Target: MAP2K6

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

MYLK Tchem Myosin light chain kinase, smooth muscle (1267 Activities)

Discover Target: MYLK

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

STK3 Tchem Serine/threonine-protein kinase MST2 (3069 Activities)

Discover Target: STK3

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

MAP2K5 Tchem Dual specificity mitogen-activated protein kinase kinase 5 (650 Activities)

Discover Target: MAP2K5

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

MAP2K3 Tchem Dual specificity mitogen-activated protein kinase kinase 3 (632 Activities)

Discover Target: MAP2K3

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

CHEK2 Tchem Serine/threonine-protein kinase Chk2 (4015 Activities)

Discover Target: CHEK2

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

PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

Discover Target: PDPK1

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

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

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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

PKN2 Tchem Protein kinase N2 (1991 Activities)

Discover Target: PKN2

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

CSK Tchem Tyrosine-protein kinase CSK (2395 Activities)

Discover Target: CSK

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

RPS6KA5 Tchem Ribosomal protein S6 kinase alpha 5 (3355 Activities)

Discover Target: RPS6KA5

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

PRKD1 Tchem Protein kinase C mu (1904 Activities)

Discover Target: PRKD1

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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

CTRB1 Tchem Beta-chymotrypsin (261 Activities)

Discover Target: CTRB1

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

CAMK1 Tchem CaM kinase I alpha (1664 Activities)

Discover Target: CAMK1

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

MAP2K2 Tclin Dual specificity mitogen-activated protein kinase kinase 2 (1262 Activities)

Discover Target: MAP2K2

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

MAP2K4 Tchem Dual specificity mitogen-activated protein kinase kinase 4 (1051 Activities)

Discover Target: MAP2K4

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

MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)

Discover Target: MAPKAPK2

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

MAPKAPK5 Tchem MAP kinase-activated protein kinase 5 (2831 Activities)

Discover Target: MAPKAPK5

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

MAPK9 Tchem c-Jun N-terminal kinase 2 (4655 Activities)

Discover Target: MAPK9

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

MAPK10 Tchem c-Jun N-terminal kinase 3 (3396 Activities)

Discover Target: MAPK10

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

MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 (4127 Activities)

Discover Target: MAP2K1

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

PRKCA Tchem Protein kinase C alpha (5923 Activities)

Discover Target: PRKCA

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

PRKACA Tchem cAMP-dependent protein kinase alpha-catalytic subunit (3475 Activities)

Discover Target: PRKACA

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

DYRK1A Tchem Dual-specificity tyrosine-phosphorylation regulated kinase 1A (6484 Activities)

Discover Target: DYRK1A

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

PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)

Discover Target: PDK1

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

RPS6KA3 Tchem Ribosomal protein S6 kinase alpha 3 (4284 Activities)

Discover Target: RPS6KA3

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

MAP2K7 Tchem Dual specificity mitogen-activated protein kinase kinase 7 (1145 Activities)

Discover Target: MAP2K7

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

RPS6KB1 Tchem Ribosomal protein S6 kinase 1 (4456 Activities)

Discover Target: RPS6KB1

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

CHEK1 Tchem Serine/threonine-protein kinase Chk1 (6846 Activities)

Discover Target: CHEK1

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Streptomyces (126 Activities)

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Plasmodium falciparum (966862 Activities)

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Caenorhabditis elegans (1055 Activities)

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

Influenza A virus (11224 Activities)

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Dengue virus (413 Activities)

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COS-7 (515 Activities)

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MDCK (10148 Activities)

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

mdh Malate dehydrogenase (29 Activities)

Discover Target: mdh

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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

Mapk1 Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1) (70 Activities)

Discover Target: Mapk1

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

Middle East respiratory syndrome-related coronavirus (220 Activities)

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

Junin virus (193 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM
• Molecular Weight: 380.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 380.088 Da
• Monoisotopic Mass: 380.088 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 610.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Application Protocols

No tested applications or assay protocols are specified in the product data for SKU U274745. The following are general, literature-informed preparation practices and are not product specifications.

General solution preparation

• Stock: Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if needed, gently warm (≤37°C) to aid dissolution.
• Aliquoting: Dispense single-use aliquots to avoid repeated freeze–thaw. Flush headspace with inert gas if possible.
• Working solutions: Dilute into prewarmed media or buffer with rapid mixing. Maintain final DMSO within assay tolerance (often ≤0.1–0.5% v/v for cell culture; verify locally).

Controls and validation

• Include a vehicle control (matching DMSO %).
• Confirm concentration by UV or LC where critical.
• Assess short-term stability of working solutions over the assay timeframe.

Note: For specific cell models, exposure times, or readouts, consult primary literature and optimize empirically.

Biological Roles

Item-specific bioactivity details are not provided in the product data for SKU U274745. The following notes summarize how compounds of this class are commonly used in research, based on literature, and are not product specifications.

General/literature context

• U0126 is widely cited in the research literature as a pathway-probing small molecule used to study intracellular signaling cascades. It is often employed as a reference tool compound in cell culture and biochemical experiments to interrogate upstream–downstream relationships.
• Typical usage patterns include transient exposure of cells or lysates to defined micromolar concentrations prepared from DMSO stocks, with appropriate vehicle controls.
• Researchers frequently examine effects on phosphorylation states and transcriptional readouts downstream of targeted signaling modules using Western blotting, ELISA, or reporter assays.

Experimental considerations (general)

• Validate identity/purity of each lot and confirm expected activity in your system with positive controls.
• Carefully manage solvent percentages and exposure times to minimize off-target solvent effects.
• Include orthogonal controls (e.g., a structurally distinct reference compound) to strengthen mechanistic conclusions.

No claims are made regarding clinical utility, therapeutic effects, or diagnostic performance. For product-specific potency, selectivity, and target annotations, consult primary literature and verify under your experimental conditions.

Buffer Applications

This item is a hydrophobic small-molecule research ligand and is not used as a classical buffering agent.

Practical notes

• Stock solutions are typically prepared in anhydrous DMSO, then diluted into physiological buffers (e.g., PBS, HBSS, culture media) immediately before use.
• To avoid precipitation, add the DMSO stock last with rapid mixing, and keep final DMSO within the tolerance of your biological system (often ≤0.1–0.5% v/v in cell culture; literature guidance).
• If higher apparent aqueous solubility is required, consider co-solvents (ethanol), surfactants (e.g., 0.01–0.1% nonionic detergent), or cyclodextrin carriers, verifying compatibility with the assay.

No pKa or buffer capacity data are applicable for making buffered solutions with this compound.

Green Alternatives

Sustainability considerations for handling and using small-molecule research ligands like U0126 focus on solvent choice, scale minimization, and waste management rather than replacing the active itself.

Greener practice options (general guidance)

• Prefer aqueous-compatible workflows where feasible by minimizing DMSO carryover (e.g., final DMSO ≤0.1% v/v) and using miniaturized assay formats (384–1536 well) to cut solvent use.
• Choose less hazardous solvents for cleaning and analytics when performance allows (e.g., ethanol over chlorinated solvents; ACN/water over DMF for LC methods).
• Implement solvent recycling for ACN/MeOH in analytical labs.
• Use right-first-time design of experiments (DoE) to reduce repeats and waste.

Comparison of common vehicles (general)

• DMSO: Excellent solubilizer; low volatility reduces VOC emissions but complicates waste treatment. Use sparingly and segregate waste.
• Ethanol: Renewable sources available; higher volatility but lower toxicity profile; may have solubility limits.
• PEG-400 or cyclodextrins: Can enhance aqueous delivery for some ligands, potentially reducing DMSO usage; verify compatibility with your assay.

Note: There is no direct “green substitute” for the active ligand function of U0126 in pathway studies. Focus sustainability efforts on solvent selection, microscale execution, and proper waste segregation.

Pharmaceutical Uses

No pharmaceutical or clinical use is claimed or implied for this product. It is supplied strictly for research use only.

Research/formulation context (general)

• Role in R&D: U0126 is often used as a reference tool compound in discovery biology and is sometimes formulated into DMSO-based dosing solutions or into simple vehicles for in vivo research in the literature. Any such uses must comply with institutional approvals and regulations.
• Excipient status: Not an approved excipient; no pharmacopeial monograph is indicated for this compound.
• Manufacturing: Not intended for GMP manufacturing or clinical supply.

Always consult institutional guidelines for handling investigational research chemicals. Do not use in humans or for diagnostic procedures.

Physical Properties

Item-specific measured properties are not provided in the listing for SKU U274745.

Item-specific facts (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

General/literature guidance (not item specifications; verify against CoA)

• Physical state: U0126 is commonly encountered as an off-white to tan solid in research supply. Actual appearance can vary by lot; rely on CoA.
• Solubility (literature): Typically soluble in DMSO; limited aqueous solubility is commonly reported. Ethanol or methanol can dissolve at lower concentrations; aqueous buffers usually require cosolvent or surfactant.
• Stock solutions (literature practice): Frequently prepared at 10–50 mM in anhydrous DMSO, then diluted into media immediately before use to minimize precipitation.
• Partitioning: As an aromatic small molecule, moderate hydrophobicity is commonly noted; precise logP/logD must be taken from validated references for the exact structure.

Do not use the above as specifications. For validated parameters such as melting point, water content, residual solvents, or spectral identity, consult the CoA/Spec Sheet for the exact lot supplied.

Quality & Grades

Item-specific facts (from Product Data)

• Grade/Purity: Moligand™

About Moligand™ (general explanation)

• Moligand™ denotes a research screening/ligand quality suitable for biochemical and cell-based studies where identity and performance as a reference compound are the priorities. Compared with commodity grades, Moligand™ items are typically handled with additional care in packaging, inert atmosphere, and moisture control to preserve integrity.

What this means in practice

• Identity control: Expect structure-confirmation by spectroscopic methods (e.g., NMR, MS, HPLC) appropriate for a research ligand. The exact methods and acceptance criteria are stated on the CoA/Spec Sheet for the lot.
• Performance: While not an analytical-reagent or pharmaceutical GMP grade, Moligand™ quality targets consistent behavior in screening applications and assays when properly stored and handled.
• Stabilization/packaging: For this item, the listing specifies argon-charged and desiccated storage, indicating sensitivity to moisture/oxygen and/or slow hydrolysis/oxidation pathways. Maintain these conditions to retain potency and purity.

Not provided in listing

• Exact purity assay, residual solvent limits, water content, metals, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

Recommendation

• Record lot number in all experiments and attach CoA to data packages to ensure reproducibility across screening campaigns.

Reaction & Applications

This product is supplied as a research small-molecule ligand and is not primarily intended as a general-purpose synthetic reagent.

Applicable uses (research context; literature)

• Reference compound: Frequently used as a positive control or pathway probe in biochemical and cell-based experiments. Stocks are commonly prepared in anhydrous DMSO and added to assays at defined concentrations.
• Analytical control: May serve as a system suitability or retention-time standard in LC/LC–MS methods for pathway inhibitor panels or library QC.

Not typically applicable

• It is not commonly used to drive or mediate classical synthetic organic transformations (e.g., catalysis, coupling, or stoichiometric reagents). For synthetic chemistry workflows, consider dedicated reagents covered under those application areas.

Practical tips

• Maintain inert, dry handling to limit degradation.
• Track freeze–thaw cycles of DMSO stocks; aliquot to single-use vials to preserve consistency.
• Verify concentration by absorbance or LC quant when rigorous dosing is required.

Note: Any biological application must be designed and interpreted under institutional approvals. Consult primary literature for specific assay designs; item-specific application data are not provided in this listing.

Reaction Conditions

Classical reaction-condition guidance (e.g., catalysts, temperatures, yields) does not apply because U0126 is not used as a reagent to drive synthetic transformations.

Practical handling conditions (applicable to solution preparation; general literature guidance)

• Dissolution: Prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM). Gentle warming (≤37°C) and vortexing/sonication can assist dissolution. Avoid prolonged heating.
• Dilution: Add the DMSO stock to aqueous buffers or media as the final component with vigorous mixing to avoid local supersaturation and precipitation.
• Light/moisture: Protect from light and humidity; maintain under inert gas during storage and minimize air exposure during weighing.
• Filtration: If sterility is required, 0.22 μm PTFE or PES filtration of the final working solution is typical.

For any procedure-specific conditions (e.g., assay times, dosing schedules), consult peer-reviewed literature and validate under your experimental setup. Item-specific protocol data are not provided in this listing.

Safety & Handling

Item-specific hazard data were not provided in the listing. Handle under institutional chemical hygiene plans and consult the SDS prior to use.

Item-specific facts (from Product Data)

• Storage: Store at −20°C, argon charged, desiccated.
• Shipping: Ice chest + ice pads.
• GHS classification, pictograms, signal word, and H-statements: Not specified for this item; refer to SDS.

General safety guidance (not a substitute for SDS)

• PPE: Use lab coat, safety glasses, and appropriate chemically resistant gloves; avoid inhalation and skin contact. Work in a fume hood when weighing/opening.
• Dust/solid handling: Minimize dust generation; use antistatic and local exhaust. Close containers promptly to limit moisture uptake and oxidative degradation.
• Incompatibilities: Avoid strong oxidizers and strong acids/bases unless compatibility is known. Protect from light and humidity as a precaution for aromatic research ligands.
• First aid (general): If inhaled—move to fresh air; if on skin—wash with soap and water; if in eyes—rinse cautiously with water for several minutes; if ingested—rinse mouth and seek medical attention. Provide SDS to medical personnel.
• Waste: Collect in appropriately labeled organic waste per institutional and local regulations.

Always defer to the product-specific SDS for authoritative hazard, toxicological, and disposal information.

Solvent Selection

Guidance for dissolving and delivering U0126 in research workflows.

Item-specific facts (from Product Data)

• No solvent recommendations are specified for this item.

General/literature guidance (not item specifications)

• Primary solvent: DMSO is the most commonly reported solvent for U0126 stock solutions due to its strong solubilizing power for aromatic small molecules and excellent miscibility with aqueous buffers at low percentages.
• Alternative organic solvents: Ethanol or methanol may dissolve U0126 at modest concentrations; DMF or acetonitrile can be considered for certain analytical preparations. Verify compatibility with downstream biology or analytics.
• Aqueous vehicles: Direct dissolution in water or PBS is typically poor; instead, prepare a DMSO stock and dilute into buffer immediately before use, keeping final DMSO ≤0.1–0.5% v/v when required by sensitive systems.
• Filtration: If sterile solutions are needed, dissolve fully in solvent, then 0.22 μm filter. Avoid filters that shed extractables in strong solvents.

Small comparison (general)

• DMSO: maximal solubility, biologically tolerated at low %; may affect membrane properties at higher %.
• Ethanol: acceptable in some assays up to 0.5–1% v/v; volatility and precipitation upon dilution can be limiting.
• DMF/ACN: useful for analytical injections; limited use in live-cell assays due to cytotoxicity.

Always confirm solution stability and concentration by UV/LC where applicable.

Storage & Reconstitution

Item-specific facts (from Product Data)

• Storage conditions: Store at −20°C, argon charged, desiccated.
• Shipping: Ice chest + ice pads.
• Research Use Note: For research use only.

Recommended handling (general best practices)

• Upon receipt: Allow the sealed container to equilibrate to room temperature in a desiccator before opening to avoid condensation.
• Inert atmosphere: Maintain argon or nitrogen headspace after each use. Reseal promptly; if available, use glovebox or dry box for weighing.
• Light/moisture protection: Store in amber, tightly sealed vials with desiccant. Keep away from light and humidity.

Reconstitution (general)

• Solvent: Use anhydrous DMSO for primary stocks unless your protocol specifies otherwise.
• Concentration: Common laboratory stocks are 10–50 mM (literature). Adjust based on your solubility and assay needs.
• Aliquots: Prepare single-use aliquots and freeze at −20°C to minimize freeze–thaw. Record preparation date and concentration on each vial.

Stability notes

• Avoid repeated thawing; thaw quickly, use immediately, and refreeze unused aliquots once if necessary.
• Inspect for discoloration or precipitation; if observed, prepare a fresh solution and check potency with a control assay.

For definitive shelf-life and retest intervals, consult the product’s CoA/Spec Sheet for your lot.

Structure & Identity

Overview: This product is U0126 (SKU U274745), commonly supplied as a research biochemical. Item-specific structural identifiers beyond the CAS are not provided in the product data.

Item-specific facts (from Product Data)

• Product name: U0126
• CAS: 109511-58-2
• Grade/Purity: Moligand™
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: 73724 (truncated/not definitive in listing); for definitive identifier refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

General/literature notes (for contextual understanding; not item specifications)

• U0126 is widely referenced in the literature as a small-molecule research tool compound used in cell signaling studies. Structural depictions typically show a multi-ring, heteroatom-containing scaffold consistent with an aromatic small molecule research ligand.
• Typical 2D description (literature): polyaromatic small molecule containing heteroatoms and amide/ether/aryl motifs depending on supplier/representation; exact atom connectivity must be verified against the specific lot documentation (CoA/SDS).

Important: For exact structural identifiers (canonical SMILES, InChI, formula, exact mass), always consult the Certificate of Analysis (CoA) or the Safety Data Sheet (SDS) specific to your vial/lot.

Synthetic Utility

This product is a finished small-molecule research ligand rather than a synthetic building block, and it is not typically used to perform or facilitate chemical transformations.

Notes for synthetic chemists

• As an aromatic, heteroatom-containing compound, U0126 may be sensitive to strong acids/bases, oxidants, and prolonged heating. Avoid conditions that could cleave sensitive linkages or promote oxidation.
• If derivatization is desired for probe development (e.g., tagging, photoaffinity), consult primary literature for established synthetic routes to structural analogs rather than modifying the supplied material, which may contain stabilizers or be sensitive to moisture/oxygen.

Recommendation

• Source appropriate intermediates or starting materials for synthetic campaigns. Use this product primarily as a reference standard or biological tool compound where purity, identity, and stability are maintained.

Target Specificity

Item-specific target annotations, selectivity profiles, potency (IC50/Ki), and off-target data are not provided in the product data for SKU U274745.

Per instructions, this section reports only product-data content. Please refer to the product’s CoA/Spec Sheet and SDS, and consult peer-reviewed literature for detailed target specificity information appropriate to your application.

Research Use Only: Not for use in humans or for diagnostic procedures.

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% 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, desiccated, 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 109511-58-2, the molecular formula is C18H16N6S2, and the molecular weight is 380.49 g/mol. InChIKey DVEXZJFMOKTQEZ-JYFOCSDGSA-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.