Name: PROTAC SMARCA2/4 degrader-36
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219250743
Cas No:3033588-00-7
常用名:PROTAC SMARCA2/4 degrader-36
IUPAC:(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-3-methyl-2-{4-[(1r,4r)-4-[(4-{4-chloro-7,7-dimethyl-5-oxo-5H,7H-indolo[1,2-a]quinazolin-9-yl}piperidin-1-yl)methyl]cyclohexyl]-1H-1,2,3-triazol-1-yl}butanoyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-3-methyl-2-{4-[(1r,4r)-4-[(4-{4-chloro-7,7-dimethyl-5-oxo-5H,7H-indolo[1,2-a]quinazolin-9-yl}piperidin-1-yl)methyl]cyclohexyl]-1H-1,2,3-triazol-1-yl}butanoyl]pyrrolidine-2-carboxamide
InChI key:NZDYTXGDQNACSC-OOBZZHDZSA-N

分子式:C53H62ClN9O4S
分子量:956.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)n1cc(nn1)[C@H]1CC[C@H](CN2CCC(CC2)c2ccc-3c(c2)C(C)(C)c2nc(=O)c4c(Cl)cccc4n-32)CC1
SMILES:CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)n1cc(nn1)[C@H]1CC[C@H](CN2CCC(CC2)c2ccc-3c(c2)C(C)(C)c2nc(=O)c4c(Cl)cccc4n-32)CC1

PROTACSMARCA2/4 degrader-36 (Compound 29) 是一种高效的SMARCA2/4双重降解剂，对SMARCA2和SMARCA4的DC50值为0.22 nM和0.85 nM。此外，PROTACSMARCA2/4 degrader-36 显示出抑制细胞增殖的活性。

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