Name: PROTAC PI3K/110β degrader-2
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT220772323
Cas No:3070438-79-5
常用名:PROTAC PI3K/110β degrader-2
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-(7-{[2-({1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)phenyl]formamido}heptanamido)butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-(7-{[2-({1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)phenyl]formamido}heptanamido)butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:InChIKey=YOXRIFGVLRBJRR-VHFFQKAFSA-N

分子式:C51H65N9O7S
分子量:948.2
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(Nc1ccccc1C(=O)NCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
SMILES:CC(Nc1ccccc1C(=O)NCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1

PROTACPI3K/110β degrader-2 是一种针对PI3K/p110β的选择性PROTAC降解剂。该化合物能够有效降解110β蛋白，抑制P-糖蛋白的表达，并提升活性氧(ROS)水平。同时，PROTACPI3K/110β degrader-2 通过激活内质网应激 (ERS) 所介导的线粒体凋亡路径以及抑制AKT/Bcl-2信号通路，发挥其抗肿瘤作用。此化合物适用于癌症研究。

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