Name: PROTAC SMARCA2/4-degrader-32
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218909540
Cas No:2568273-79-8
常用名:PROTAC SMARCA2/4-degrader-32
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-(2-{4-[(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]piperazin-1-yl}acetamido)butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-(2-{4-[(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]piperazin-1-yl}acetamido)butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:ZDOGDFQBBJWRMT-QLUCLRECSA-N

分子式:C54H69N13O5S
分子量:1012.29
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)CN2CCN(CC2)[C@H]2CC[C@@H](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)CN2CCN(CC2)[C@H]2CC[C@@H](CC2)c2cnc(nc2)N2C3CCC2CN(C3)c2cc(nnc2N)-c2ccccc2O)C(C)(C)C)cc1

PROTAC SMARCA2/4-degrader-32 (compound I-446) 作为一种针对SMARCA2和SMARCA4的PROTAC降解剂，展示了极高的效力。在A549细胞系中，其对SMARCA2/4蛋白的DC50s均低于100 nM，24小时处理后的最大降解率 (Dmax%) 均超过90%。

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