Name: PROTAC SMARCA2/4-degrader-23
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218909642
Cas No:2568277-50-7
常用名:PROTAC SMARCA2/4-degrader-23
IUPAC:(3R,5S)-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]-5-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-3-yl (2S)-2-aminopropanoate
IUPAC:(3R,5S)-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]-5-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-3-yl (2S)-2-aminopropanoate
InChI key:NHQUGDMASUHWOV-VFOBTKRJSA-N

分子式:C52H64N12O6S
分子量:985.22
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](N)C(=O)O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H]1CC[C@@H](CC1)c1cnc(nc1)N1C2CCC1CN(C2)c1cc(nnc1N)-c1ccccc1O)C(C)(C)C)C(=O)NCc1ccc(cc1)-c1scnc1C
SMILES:C[C@H](N)C(=O)O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H]1CC[C@@H](CC1)c1cnc(nc1)N1C2CCC1CN(C2)c1cc(nnc1N)-c1ccccc1O)C(C)(C)C)C(=O)NCc1ccc(cc1)-c1scnc1C

SMARCA2 degrader-15 (compound I-409) 作为一种针对SMARCA2和SMARCA4的PROTAC降解剂，在A549细胞上展示出卓越的降解效果。其DC50s值均小于100 nM，经过24小时处理后，SMARCA2和SMARCA4蛋白的最大降解率（Dmax%）均超过90%。

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