Name: PROTAC SMARCA2/4-degrader-7
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218909574
Cas No:2568277-89-2
常用名:PROTAC SMARCA2/4-degrader-7
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]-4-hydroxy-N-{1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl}pyrrolidine-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]-4-hydroxy-N-{1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl}pyrrolidine-2-carboxamide
InChI key:IIPHCIMKYYJIFI-UUWONDFQSA-N

分子式:C51H61N11O5S
分子量:940.18
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ncsc1-c1ccc(cc1)C1(CC1)NC(=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
SMILES:Cc1ncsc1-c1ccc(cc1)C1(CC1)NC(=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

SMARCA2/4-degrader-7（compound I-439）作为一种针对SMARCA2和SMARCA4的PROTAC降解剂，在A549细胞中展示出显著的降解效果，其DC50s值均小于100 nM，且在处理24小时后的最大降解率（Dmax%）超过90%。

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