Name: CDK12-IN-4
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323661
Cas No:2651196-69-7
常用名:CDK12-IN-4
别名:CDK12-IN-4
IUPAC:8-cyclopropyl-N-[(6,7-difluoro-1H-1,3-benzodiazol-2-yl)methyl]-2-(morpholin-4-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-(morpholin-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
InChI key:UXJVUCJEHIXDPU-UHFFFAOYSA-N

分子式:C20H20F2N8O
分子量:426.432
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Fc1ccc2nc(CNc3nc(nc4c(cnn34)C3CC3)N3CCOCC3)[nH]c2c1F
SMILES:Fc1ccc2nc(CNc3nc(nc4c(cnn34)C3CC3)N3CCOCC3)[nH]c2c1F

CDK12-IN-4, a pyrazolotriazine compound, exhibits potent inhibition of CDK12 by achieving an IC50 value of 0.641 μM, utilizing high ATP levels (2 mM). Notably, CDK12-IN-4 does not impact CDK2/Cyclin E (IC50 > 20 μM) or CDK9/Cyclin T1 (IC50 > 20 μM) under the influence of high ATP (2 mM) levels (WO2021116178A1).

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