K-Ras ligand-Linker Conjugate 3 | CAS 2378261-87-9

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HIT ID:HIT212667817
Cas No:2378261-87-9
常用名:K-Ras ligand-Linker Conjugate 3
IUPAC:tert-butyl (2S)-2-(cyanomethyl)-4-(2-{[(2S,4R)-1-methyl-4-{2-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]ethoxy}pyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
IUPAC:tert-butyl (2S)-2-(cyanomethyl)-4-(2-{[(2S,4R)-1-methyl-4-{2-[2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethoxy]ethoxy}pyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
InChI key:JMQQKTJAQKSXBU-XUTHUYCTSA-N

分子式:C49H65N7O10S
分子量:944.16
氢键供体数 (HBD):0
氢键受体数 (HBA):14
LogP:6.5094037
SMILES:CN1C[C@@H](C[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)OC(C)(C)C)c1cccc2ccccc12)OCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1
SMILES:CN1C[C@@H](C[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)OC(C)(C)C)c1cccc2ccccc12)OCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1

K-Ras ligand-Linker Conjugate 3 (Compound 001371) is a chemical compound that consists of a ligand for K-Ras recruiting moiety and a PROTAC linker, responsible for recruiting E3 ligases (e.g., VHL, CRBN, MDM2, and IAP). This compound is essential in the synthesis of PROTAC K-Ras Degrader-1, a potent PROTAC K-Ras degrader that demonstrates a degradation efficacy of ≥70% in SW1573 cells[1].

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