Name: CDK12-IN-6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214323662
Cas No:2651196-71-1
常用名:CDK12-IN-6
别名:CDK12-IN-6
IUPAC:8-cyclopropyl-N-[(6,7-difluoro-1H-1,3-benzodiazol-2-yl)methyl]-2-(piperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
IUPAC:8-cyclopropyl-N-[(6,7-difluoro-1H-1,3-benzodiazol-2-yl)methyl]-2-(piperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
InChI key:BQWUTZRKMIAITL-UHFFFAOYSA-N

分子式:C20H21F2N9
分子量:425.448
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Fc1ccc2nc(CNc3nc(nc4c(cnn34)C3CC3)N3CCNCC3)[nH]c2c1F
SMILES:Fc1ccc2nc(CNc3nc(nc4c(cnn34)C3CC3)N3CCNCC3)[nH]c2c1F

CDK12-IN-6, a pyrazolotriazine compound, is a powerful inhibitor of CDK12. Its inhibitory activity is significant with an IC50 value of 1.19 μM when tested at high ATP concentration (2 mM). Notably, CDK12-IN-6 does not exhibit any inhibitory effect on CDK2/Cyclin E (IC50 >20 μM) and CDK9/Cyclin T1 (IC50 >20 μM) when tested under the same high ATP conditions (2 mM) (WO2021116178A1).

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