TP-3654 - ≥98% , CAS No.1361951-15-6

CAS: 1361951-15-6 Cat. No.: T413627 Summenformel: C₂₂H₂₅F₃N₄O Molekulargewicht: 418.46 EG-Nummer: 154-681-5 PubChem CID: 66598080

GRADE & PURITY ≥98%

Synonyms

IndoFast Orange Lake OV 6014 | SB17245 | BCP30070 | A857573 | BDBM242374 | TP 3654 | SCHEMBL20794171 | CHEBI:180578 | TP3654; TP 3654 | FT-0649638 | XRNVABDYQLHODA-SKHKEOPYSA-N | EX-A1828 | NCGC00511354-02 | EOB0N7BOY4 | UNII-EOB0N7BOY4 | SCHEMBL22421478

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

TP-3654 is the second-generationPIMinhibitor with Kivalues of 5 nM, 239 nM, and 42 nM for PIM-1, PIM-2 and PIM-3, respectively.

Targets

Pim1 (Cell-free assay); Pim3 (Cell-free assay); Pim2 (Cell-free assay) 5 nM(Ki); 42 nM(Ki); 239 nM(Ki)

Specifications

Synonyme

IndoFast Orange Lake OV 6014 | SB17245 | BCP30070 | A857573 | BDBM242374 | TP 3654 | SCHEMBL20794171 | CHEBI:180578 | TP3654; TP 3654 | FT-0649638 | XRNVABDYQLHODA-SKHKEOPYSA-N | EX-A1828 | NCGC00511354-02 | EOB0N7BOY4 | UNII-EOB0N7BOY4 | SCHEMBL22421478

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

TP-3654 is the second-generation PIM inhibitor with K_i values of 5 nM, 239 nM, and 42 nM for PIM-1, PIM-2 and PIM-3, respectively.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

• ALogP: 4.874
• HBD-Zahl: 1
• Rotationsfähige Bindung: 5

Namen und Kennungen

• Pubchem Sid: 504771846
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771846
• Kanonisches Lächeln: CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O
• IUPAC Name: 2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
• InChIKey: XRNVABDYQLHODA-UHFFFAOYSA-N
• INCHI: 1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)
• Isomere SMILES: CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O
• PubChem CID: 66598080
• Molekulargewicht: 418.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Imidazoles
        • Ebene5 Substituted imidazoles
          • Ebene6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Trifluoromethylbenzenes Secondary alkylarylamines Aminopyridazines N-substituted imidazoles Imidolactams Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylimidazole - 5-phenylimidazole - Trifluoromethylbenzene - Secondary aliphatic/aromatic amine - Aminopyridazine - Imidolactam - Benzenoid - Pyridazine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole 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

Zugehörige Ziele (menschlich)

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

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

Discover Target: PIM1

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

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

U2OS (164939 Activities)

Explore this target

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

HEK-293T (167025 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 84 mg/mL (200.73 mM); Ethanol: 6 mg/mL (14.33 mM); Water: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 84
• DMSO (mM) Maximale Löslichkeit: 200.736032117765
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 418.500 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 418.198 Da
• Monoisotopic Mass: 418.198 Da
• Topological Polar Surface Area: 62.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 579.000
• 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

Häufig gestellte Fragen

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.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 1361951-15-6, the molecular formula is C22H25F3N4O, and the molecular weight is 418.46 g/mol. InChIKey XRNVABDYQLHODA-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.