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Chemical structure of K-Ras ligand-Linker Conjugate 4

GC39226

K-Ras ligand-Linker Conjugate 4

Also known as benzyl (2S)-2-(cyanomethyl)-4-[2-[[(2S,4R)-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate

K-Ras ligand-Linker Conjugate 4 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 4 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

ChemicalCAS2378261-83-5MW697.82FormulaC35H51N7O8
CAS number
2378261-83-5
Molecular weight
697.82
Formula
C35H51N7O8
Solubility
Ethanol： 50 mg/mL (71·65 mM)
InChIKey
GUKYSZDGLMYSDL-OIFRRMEBSA-N
Catalogue number
GC39226
Brand
GLPBIO
Computed properties PubChem CID 146014472 · XLogP 0.4 · TPSA 164 Ų · H-bond donors 2
XLogP
0.4
TPSA
164 Ų
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
20
Heavy atoms
50

SMILES CN1C[C@@H](C[C@H]1COC2=NC3=C(CCNC3)C(=N2)N4CCN([C@H](C4)CC#N)C(=O)OCC5=CC=CC=C5)OCCOCCOCCOCCO

Computed descriptors from PubChem (CID 146014472), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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