Name: PROTAC BRM/BRG1 degrader-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219136801
Cas No:2933124-32-2
常用名:PROTAC BRM/BRG1 degrader-2
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-{[(1r,4r)-4-(2-{4-[3-amino-6-(2-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl}pyrimidin-5-yl)cyclohexyl]formamido}butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-{[(1r,4r)-4-(2-{4-[3-amino-6-(2-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl}pyrimidin-5-yl)cyclohexyl]formamido}butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
InChI key:XCHURTCALGLHFP-PPZQHQRRSA-N

分子式:C50H60N12O5S
分子量:941.17
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H]1CC[C@@H](CC1)c1cnc(nc1)N1CCC(CC1)n1nc(N)c2nnc(cc12)-c1ccccc1O)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H]1CC[C@@H](CC1)c1cnc(nc1)N1CCC(CC1)n1nc(N)c2nnc(cc12)-c1ccccc1O)C(C)(C)C)c1ccc(cc1)-c1scnc1C

PROTAC BRM/BRG1 degrader-2 (Example.004) 作为一种效能显著的PROTAC BRM/BRG1降解剂，在A549细胞中表现出极低的DC50（< 10 nM）和IC50（15 nM）。

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