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Chemical structure of K-Ras ligand-Linker Conjugate 6

GC39714

K-Ras ligand-Linker Conjugate 6

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

K-Ras ligand-Linker Conjugate 6 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 6 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

ChemicalCAS2378261-89-1MW788.98FormulaC42H60N8O7
CAS number
2378261-89-1
Molecular weight
788.98
Formula
C42H60N8O7
Solubility
Soluble in DMSO
InChIKey
BESPBPQQMBNUCA-DHWXLLNHSA-N
Catalogue number
GC39714
Brand
GLPBIO
Computed properties PubChem CID 146047133 · XLogP 3.1 · TPSA 161 Ų · H-bond donors 1
XLogP
3.1
TPSA
161 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)OCCOCCOCCOCCN

Computed descriptors from PubChem (CID 146047133), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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