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2326428-25-3

2326428-25-3 Structure

2326428-25-3 Structure
IdentificationBack Directory
[Name]

1-Piperidinecarboxylic acid, 4-[[5-methyl-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-, 1-[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]-3-pyrrolidinyl ester
[CAS]

2326428-25-3
[Synonyms]

anticancer,Cyclin dependent kinase,CDK,MCF7,SNU-16,Cyclin-dependent kinase,LY 3405105,LY3405105,HCC1806,inhibit,Inhibitor,LY-3405105,HCT116
(3S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl] 4-[(3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
1-Piperidinecarboxylic acid, 4-[[5-methyl-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-, 1-[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]-3-pyrrolidinyl ester
[Molecular Formula]

C26H39N7O3
[MDL Number]

MFCD34593625
[MOL File]

2326428-25-3.mol
[Molecular Weight]

497.63
Chemical PropertiesBack Directory
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 99 mg/mL (198.94 mM);Ethanol: 99 mg/mL (198.94 mM)
[form ]

Solid
[pka]

8.26±0.28(Predicted)
[color ]

White to off-white
[Water Solubility ]

Water: Insoluble
Hazard InformationBack Directory
[Uses]

CDK7-IN-4 (compound I) is a potent CDK7 (Cyclin-dependent kinase 7) inhibitor. CDK7-IN-4 shows anticancer activity. CDK7-IN-4 inhibits the in vitro growth of cancer cell lines from a variety of histologies including colon , breast , lung , ovary and stomach , in a dose dependent manner[1].
[IC 50]

CDK7
[storage]

Store at -20°C
[References]

[1] David Andrew Coates,et al. Compounds useful for inhibiting cdk7. US20190144456A1.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Piperidinecarboxylic acid, 4-[[5-methyl-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-, 1-[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]-3-pyrrolidinyl ester(2326428-25-3)1HNMR
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