K-Ras ligand-Linker Conjugate 2 | AnyMole

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HIT212667816

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HIT212667816

HIT ID:HIT212667816
Cas No:
常用名:K-Ras ligand-Linker Conjugate 2
IUPAC:benzyl (2S)-4-(2-{[(2S,4R)-4-(2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethoxy)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate
IUPAC:benzyl (2S)-4-(2-{[(2S,4R)-4-(2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethoxy)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate
InChI key:IWTUIAHWVUGDQV-XEZIGOATSA-N

分子式:C45H58N8O7
分子量:823.008
氢键供体数 (HBD):1
氢键受体数 (HBA):13
LogP:4.5089235
SMILES:CN1C[C@@H](C[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)OCc1ccccc1)c1cccc2ccccc12)OCCOCCOCCOCCN
SMILES:CN1C[C@@H](C[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)OCc1ccccc1)c1cccc2ccccc12)OCCOCCOCCOCCN

K-Ras ligand-Linker Conjugate 2 is a chemical compound that includes a ligand for K-Ras and a PROTAC linker. This compound is capable of recruiting E3 ligases like VHL, CRBN, MDM2, and IAP. It is utilized in the synthesis of PROTAC K-Ras Degrader-1, which is a highly effective PROTAC K-Ras degrader with a degradation efficacy of ≥70% in SW1573 cells[1].

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