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

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218887141
Cas No:2568277-84-7
常用名:PROTAC SMARCA2/4-degrader-5
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-{[(1r,4r)-4-{[4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)phenyl]methyl}cyclohexyl]formamido}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-{[(1r,4r)-4-{[4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)phenyl]methyl}cyclohexyl]formamido}butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:AYIKNPOLBLCBLM-TUJBAWDOSA-N

分子式:C56H65N11O5S
分子量:1004.27
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)[C@H]2CC[C@H](Cc3ccc(cc3)-c3cnc(nc3)N3C4CCC3CN(C4)c3cc(nnc3N)-c3ccccc3O)CC2)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H]2CC[C@H](Cc3ccc(cc3)-c3cnc(nc3)N3C4CCC3CN(C4)c3cc(nnc3N)-c3ccccc3O)CC2)C(C)(C)C)cc1

PROTAC SMARCA2/4-degrader-5 (Compound I-437) 作为PROTAC类降解剂,专门针对SWI/SNF复合体中的催化亚基SMARCA2和SMARCA4进行降解.在MV411和A549细胞系中,此化合物对SMARCA2的降解DC50值均小于100 nM; 对于MV411细胞系中SMARCA4的降解,DC50值介于100-500 nM之间.

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