Name: WRN inhibitor 11
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929762
Cas No:3058317-61-3
常用名:WRN inhibitor 11
IUPAC:N-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[3-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
IUPAC:N-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[3-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
InChI key:AEQQRWBPGUGJSK-UHFFFAOYSA-N

分子式:C34H35ClF3N9O5
分子量:742.16
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1c(N2C3CCC2CN(C3)C(=O)c2ncnc(C)c2O)c(=O)n2nc(nc2n1CC(=O)Nc1cc(Cl)c(cc1C)C(F)(F)F)C1=CCOCC1
SMILES:CCc1c(N2C3CCC2CN(C3)C(=O)c2ncnc(C)c2O)c(=O)n2nc(nc2n1CC(=O)Nc1cc(Cl)c(cc1C)C(F)(F)F)C1=CCOCC1

WRN inhibitor 11 (Example 17)，作为一种口服有效的WRN 解旋酶 (WRN helicase) 抑制剂，展现出63 nM的IC50值。

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