Name: PROTAC SMARCA2 degrader-6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218909521
Cas No:2568523-72-6
常用名:PROTAC SMARCA2 degrader-6
IUPAC:1-{2-[(6-{[4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)piperidin-1-yl]methyl}spiro[3.3]heptan-2-yl)formamido]-3,3-dimethylbutanoyl}-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:1-{2-[(6-{[4-(2-{3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}pyrimidin-5-yl)piperidin-1-yl]methyl}spiro[3.3]heptan-2-yl)formamido]-3,3-dimethylbutanoyl}-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:UEPPXXSTXCINPY-UHFFFAOYSA-N

分子式:C56H70N12O5S
分子量:1023.32
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2CC3(CC(CN4CCC(CC4)c4cnc(nc4)N4C5CCC4CN(C5)c4cc(nnc4N)-c4ccccc4O)C3)C2)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2CC3(CC(CN4CCC(CC4)c4cnc(nc4)N4C5CCC4CN(C5)c4cc(nnc4N)-c4ccccc4O)C3)C2)C(C)(C)C)cc1

PROTAC SMARCA2 degrader-6 (compound I-427) 作为一种针对SMARCA2的降解剂，显示出在A549细胞中对SMARCA2蛋白具有高效的降解活性，其DC50值小于100 nM，并且在处理24小时后，最大降解率 (Dmax%) 能达到90%以上。

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