Name: DI-82
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322711
Cas No:1638148-50-1
常用名:DI-82
IUPAC:N-[2-(5-{4-[(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl]-5-methyl-1,3-thiazol-2-yl}-2-methoxyphenoxy)ethyl]methanesulfonamide
IUPAC:N-[2-(5-{4-[(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl]-5-methyl-1,3-thiazol-2-yl}-2-methoxyphenoxy)ethyl]methanesulfonamide
InChI key:MBPWFMBRNJJXFY-GFCCVEGCSA-N

分子式:C20H26N6O4S3
分子量:510.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(cc1OCCNS(C)(=O)=O)-c1nc([C@@H](C)Sc2nc(N)cc(N)n2)c(C)s1
SMILES:COc1ccc(cc1OCCNS(C)(=O)=O)-c1nc([C@@H](C)Sc2nc(N)cc(N)n2)c(C)s1

DI-82 is a highly potent inhibitor of deoxycytidine kinase (dCK), displaying impressive biochemical activity with an IC50 value of 27.8 nM and a K i value of 9.2 nM. Additionally, DI-82 exhibits significant antitumor effects.

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