Name: PROTAC SMARCA2/4-degrader-9
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218887251
Cas No:2568507-15-1
常用名:PROTAC SMARCA2/4-degrader-9
IUPAC:(2S,4R)-1-[(2S)-2-{[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}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-{[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}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:SJPLQGPNFYKWGD-BKYHXXMZSA-N

分子式:C49H59N11O5S
分子量:914.14
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC(CC2)c2cnc(nc2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CCC(CC2)c2cnc(nc2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)C(C)(C)C)cc1

PROTAC SMARCA2/4-degrader-9 (Compound I-503) 作为一种PROTAC降解剂,针对SWI/SNF复合体中的催化亚基SMARCA2和SMARCA4进行靶向降解.该化合物在MV411和A549细胞系中对SMARCA2的降解DC50值均低于100 nM,同时在MV411细胞系中对SMARCA4的降解DC50值也低于100 nM.

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