Name: CDK7-IN-2 hydrochloride hydrate
Rating: 5 (10 reviews)

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HIT ID:HIT214323329
Cas No:2326428-24-2
常用名:CDK7-IN-2 hydrochloride hydrate
别名:CDK7-IN-2 hydrochloride hydrate
IUPAC:(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl 4-{[5-methyl-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}piperidine-1-carboxylate hydrate hydrochloride
IUPAC:(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl 4-{[5-methyl-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}piperidine-1-carboxylate hydrate hydrochloride
InChI key:XHTUBUFFXLGQAJ-STEWLIJWSA-N

分子式:C26H42ClN7O4
分子量:552.12
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O.Cl.CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12
SMILES:O.Cl.CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12

CDK7-IN-2 hydrochloride hydrate (Example 6) is a highly effective and specific inhibitor of the CDK7 enzyme. This compound exhibits significant anti-cancer properties.

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