K-Ras ligand-Linker Conjugate 1 | AnyMole

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HIT212667815

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HIT212667815

HIT ID:HIT212667815
Cas No:
常用名:K-Ras ligand-Linker Conjugate 1
IUPAC:benzyl (2S)-2-(cyanomethyl)-4-(2-{[(2S,4R)-4-[2-(2-{2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]ethoxy}ethoxy)ethoxy]-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
IUPAC:benzyl (2S)-2-(cyanomethyl)-4-(2-{[(2S,4R)-4-[2-(2-{2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]ethoxy}ethoxy)ethoxy]-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
InChI key:RLYCTEGJKCAPGP-DHWXLLNHSA-N

分子式:C43H54N8O9
分子量:826.952
氢键供体数 (HBD):1
氢键受体数 (HBA):14
LogP:2.7878366
SMILES:CN1C[C@@H](C[C@H]1COc1nc2CNCCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)OCc1ccccc1)OCCOCCOCCOCCN1C(=O)c2ccccc2C1=O
SMILES:CN1C[C@@H](C[C@H]1COc1nc2CNCCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)OCc1ccccc1)OCCOCCOCCOCCN1C(=O)c2ccccc2C1=O

K-Ras ligand-Linker Conjugate 1 is a chemical compound that includes a ligand for K-Ras and a PROTAC linker, facilitating the recruitment of E3 ligases VHL, CRBN, MDM2, and IAP. It can be utilized in the synthesis of PROTAC K-Ras Degrader-1, a highly effective K-Ras degrader that achieves ≥70% degradation efficacy in SW1573 cells[1].

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