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Chemical structure of K-Ras ligand-Linker Conjugate 5

GC39225

K-Ras ligand-Linker Conjugate 5

Also known as tert-butyl (2S)-2-(cyanomethyl)-4-[2-[[(2S,4R)-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate

K-Ras ligand-Linker Conjugate 5 incorporates a ligand for K-Ras recruiting moiety, and a PROTAC linker, which recruit E3 ligases (such as VHL, CRBN, MDM2, and IAP)· K-Ras ligand-Linker Conjugate 5 can be used in the synthesis of PROTAC K-Ras Degrader-1, which is potent PROTAC K-Ras degrader that exhibits ≥70% degradation efficacy in SW1573 cells

ChemicalCAS2378261-85-7MW789.96FormulaC42H59N7O8
CAS number
2378261-85-7
Molecular weight
789.96
Formula
C42H59N7O8
Solubility
Soluble in DMSO
InChIKey
YWJHMWJHKMFQGA-DHWXLLNHSA-N
Catalogue number
GC39225
Brand
GLPBIO
Computed properties PubChem CID 146014473 · XLogP 3.3 · TPSA 155 Ų · H-bond donors 1
XLogP
3.3
TPSA
155 Ų
H-bond donors
1
H-bond acceptors
14
Rotatable bonds
20
Heavy atoms
57

SMILES CC(C)(C)OC(=O)N1CCN(C[C@@H]1CC#N)C2=NC(=NC3=C2CCN(C3)C4=CC=CC5=CC=CC=C54)OC[C@@H]6C[C@H](CN6C)OCCOCCOCCOCCO

Computed descriptors from PubChem (CID 146014473), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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