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2020052-55-3

2020052-55-3 Structure

2020052-55-3 Structure
IdentificationBack Directory
[Name]

CDK12 inhibitor E9 S-isomer
[CAS]

2020052-55-3
[Synonyms]

CDK12-IN-E9
CDK inhibitor E9
CDK12 inhibitor E9 S-isomer
[Molecular Formula]

C24H30N6O2
[MDL Number]

MFCD32708509
[MOL File]

2020052-55-3.mol
[Molecular Weight]

434.53
Chemical PropertiesBack Directory
[density ]

1.28±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

13.25±0.70(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Description]

CDK12-IN-E9 is a covalent inhibitor of CDK12. It has been shown to overcome resistance to the THZ series of covalent transcriptional CDK Inhibitors.
[Uses]

CDK12-IN-E9 is a potent and selective covalent CDK12 inhibitor and a non-covalent CDK9 inhibitor, while avoiding ABC transporter-mediated efflux. CDK12-IN-E9 has weak binding ability to CDK7/CyclinH complex with an IC50> 1 μM[1].
[IC 50]

CDK12; CDK9/cyclinT1: 23.9 nM (IC50); cdk2/cyclin A: 932 nM (IC50); CDK7/Cyclin H/MNAT1: 1210 nM (IC50)
[References]

[1] Gao Y, et al. Overcoming Resistance to the THZ Series of Covalent Transcriptional CDK Inhibitors. Cell Chem Biol. 2018 Feb 15;25(2):135-142.e5. DOI:10.1016/j.chembiol.2017.11.007
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