Name: PROTAC SMARCA2/4-degrader-33
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218909605
Cas No:2568276-36-6
常用名:PROTAC SMARCA2/4-degrader-33
IUPAC:3-{3-methyl-2-oxo-5-[(1s,4s)-4-[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]cyclohexyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}piperidine-2,6-dione
IUPAC:3-{3-methyl-2-oxo-5-[(1s,4s)-4-[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]cyclohexyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}piperidine-2,6-dione
InChI key:RFWLQOKSXYWDAV-MDLSMXNNSA-N

分子式:C44H51N11O4
分子量:797.965
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cn1c2cc(ccc2n(C2CCC(=O)NC2=O)c1=O)[C@@H]1CC[C@@H](CC1)N1CCC(CC1)c1cnc(nc1)N1C2CCC1CN(C2)c1cc(nnc1N)-c1ccccc1O
SMILES:Cn1c2cc(ccc2n(C2CCC(=O)NC2=O)c1=O)[C@@H]1CC[C@@H](CC1)N1CCC(CC1)c1cnc(nc1)N1C2CCC1CN(C2)c1cc(nnc1N)-c1ccccc1O

PROTAC SMARCA2/4-degrader-33（compound I-277）作为一种针对SMARCA2和SMARCA4的降解剂，在A549细胞中对SMARCA2/4蛋白的降解表现出极高效能，其DC50s均低于100 nM，并且在处理24小时后，最大降解率（Dmax%）超过90%。

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