Name: PROTAC K-Ras Degrader-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251234
Cas No:3043670-74-9
常用名:PROTAC K-Ras Degrader-2
IUPAC:3-(4-{4-[(1-{[1-({[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxy}methyl)cyclopropyl]methyl}-4-methylpiperidin-4-yl)methyl]piperazin-1-yl}-2,6-difluorophenyl)piperidine-2,6-dione
IUPAC:3-(4-{4-[(1-{[1-({[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxy}methyl)cyclopropyl]methyl}-4-methylpiperidin-4-yl)methyl]piperazin-1-yl}-2,6-difluorophenyl)piperidine-2,6-dione
InChI key:KLRWVBDLOXWJKN-SAAGSCKISA-N

分子式:C52H60F4N8O5
分子量:953.097
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OCC5(CN6CCC(C)(CN7CCN(CC7)c7cc(F)c(C8CCC(=O)NC8=O)c(F)c7)CC6)CC5)nc4c3F)N3CCC[C@@](C)(O)C3)c12
SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OCC5(CN6CCC(C)(CN7CCN(CC7)c7cc(F)c(C8CCC(=O)NC8=O)c(F)c7)CC6)CC5)nc4c3F)N3CCC[C@@](C)(O)C3)c12

PROTAC K-Ras degrader-2 (compound 48) 是一种广谱KRAS突变体PROTAC降解剂，对KRAS G12V/RAF1的IC50≤200 nM。该化合物可以降解SW620 KRAS G12D，DC50≤200 nM，并抑制SW620 3D细胞扩增，其IC50≤20 nM。

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