Name: PROTAC SMARCA2/4-degrader-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218909566
Cas No:2568277-76-7
常用名:PROTAC SMARCA2/4-degrader-2
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-{[(1r,4r)-4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)cyclohexyl]formamido}butanoyl]-N-{[2-(dimethylcarbamoyl)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxypyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-{[(1r,4r)-4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)cyclohexyl]formamido}butanoyl]-N-{[2-(dimethylcarbamoyl)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxypyrrolidine-2-carboxamide
InChI key:PLXHPTSUVOXDCO-INBBVLNLSA-N

分子式:C52H64N12O6S
分子量:985.22
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN(C)C(=O)c1cc(ccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H]1CC[C@@H](CC1)c1cnc(nc1)N1C2CCC1CN(C2)c1cc(nnc1N)-c1ccccc1O)C(C)(C)C)-c1scnc1C
SMILES:CN(C)C(=O)c1cc(ccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H]1CC[C@@H](CC1)c1cnc(nc1)N1C2CCC1CN(C2)c1cc(nnc1N)-c1ccccc1O)C(C)(C)C)-c1scnc1C

SMARCA2/4-degrader-2 (compound I-431) 作为一种PROTAC降解剂，专门针对SMARCA2和SMARCA4，在A549细胞中对SMARCA2/4蛋白的降解性能表现出色，其DC50s 均低于100 nM，并且在处理24小时后，最大降解率 (Dmax%) 均超过90%。

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