PROTAC pan-KRAS degrader-1 | CAS 3043908-63-7

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HIT ID:HIT220772609
Cas No:3043908-63-7
常用名:PROTAC pan-KRAS degrader-1
IUPAC:(2S,4R)-1-[(2S)-2-(4-{5-[(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}piperidin-4-yl)oxy]pyrazin-2-yl}-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-(4-{5-[(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}piperidin-4-yl)oxy]pyrazin-2-yl}-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
InChI key:InChIKey=JELHLMJKGQYGFM-WIWIRLKUSA-N

分子式:C63H71F2N13O7S
分子量:1192.4
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OCC5(CN6CCC(CC6)Oc6cnc(cn6)-c6cn(nn6)[C@@H](C(C)C)C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(cc6)-c6scnc6C)CC5)nc4c3F)N3CCC[C@@](C)(O)C3)c12
SMILES:CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OCC5(CN6CCC(CC6)Oc6cnc(cn6)-c6cn(nn6)[C@@H](C(C)C)C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(cc6)-c6scnc6C)CC5)nc4c3F)N3CCC[C@@](C)(O)C3)c12

PROTACpan-KRAS degrader-1 是一种有效的pan-KRAS PROTAC降解剂，能降解多种KRAS突变，如G12D、G12C、G12V和G13D。在AGS细胞中，PROTACpan-KRAS degrader-1 对KRAS突变(G12D)的DC50为1.1 nM，Dmax为95%。它适用于研究由于KRAS突变或扩增引起的疾病，特别是乳腺癌、膀胱癌和胃癌等。

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