Name: CDK-TCIP1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929785
Cas No:3008612-35-6
常用名:CDK-TCIP1
IUPAC:N-(7-{4-[(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl}-7-oxoheptyl)-1-[5-chloro-4-({8-methoxy-1-methyl-3-[(methylcarbamoyl)methoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carboxamide
IUPAC:N-(7-{4-[(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl}-7-oxoheptyl)-1-[5-chloro-4-({8-methoxy-1-methyl-3-[(methylcarbamoyl)methoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carboxamide
InChI key:DLDMYDRNRDNRMW-UHFFFAOYSA-N

分子式:C48H62ClN11O8S2
分子量:1020.66
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3CCC(CC3)C(=O)NCCCCCCC(=O)N3CCC(CC3)C(=O)Nc3ncc(SCc4ncc(o4)C(C)(C)C)s3)cc(OC)c2n(C)c1=O
SMILES:CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3CCC(CC3)C(=O)NCCCCCCC(=O)N3CCC(CC3)C(=O)Nc3ncc(SCc4ncc(o4)C(C)(C)C)s3)cc(OC)c2n(C)c1=O

CDK-TCIP1为一种双价化合物，由CDK9抑制剂SNS-032与BCL6配体BI3812连接而成。此化合物能够专一并高效地针对过表达BCL6的细胞产生杀伤效果，其对SUDHL5细胞的EC50值为7.7 nM。

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