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Chemical structure of K-Ras G12C-IN-1

GC36398

K-Ras G12C-IN-1

Also known as 1-[4-[2-[4-chloro-5-(2-chlorophenyl)-2-methoxyanilino]acetyl]piperazin-1-yl]prop-2-en-1-one

K-Ras G12C-IN-1 is a novel and irreversible inhibitor of mutant K-ras G12C extracted from patent WO 2014152588 A1

ChemicalCAS1629265-17-3MW448.34FormulaC22H23Cl2N3O3
CAS number
1629265-17-3
Molecular weight
448.34
Formula
C22H23Cl2N3O3
Solubility
DMSO： ≥ 40 mg/mL (89·22 mM)
InChIKey
ZJWLFLPGQCYBSE-UHFFFAOYSA-N
Catalogue number
GC36398
Brand
GLPBIO
Computed properties PubChem CID 90462972 · XLogP 4.1 · TPSA 61.9 Ų · H-bond donors 1
XLogP
4.1
TPSA
61.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30

SMILES COC1=C(C=C(C(=C1)Cl)C2=CC=CC=C2Cl)NCC(=O)N3CCN(CC3)C(=O)C=C

Computed descriptors from PubChem (CID 90462972), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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