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Chemical structure of K-Ras ligand-Linker Conjugate 3

GC39190

K-Ras ligand-Linker Conjugate 3

Also known as tert-butyl (2S)-2-(cyanomethyl)-4-[2-[[(2S,4R)-1-methyl-4-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]pyrrolidin-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 3 (Compound 001371) 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 3 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

ChemicalCAS2378261-87-9MW944.15FormulaC49H65N7O10S
CAS number
2378261-87-9
Molecular weight
944.15
Formula
C49H65N7O10S
Solubility
Soluble in DMSO
InChIKey
JMQQKTJAQKSXBU-XUTHUYCTSA-N
Catalogue number
GC39190
Brand
GLPBIO
Computed properties PubChem CID 145925672 · XLogP 5.4 · TPSA 187 Ų · H-bond donors 0
XLogP
5.4
TPSA
187 Ų
H-bond donors
0
H-bond acceptors
16
Rotatable bonds
23
Heavy atoms
67

SMILES CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCO[C@@H]2C[C@H](N(C2)C)COC3=NC4=C(CCN(C4)C5=CC=CC6=CC=CC=C65)C(=N3)N7CCN([C@H](C7)CC#N)C(=O)OC(C)(C)C

Computed descriptors from PubChem (CID 145925672), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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