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Chemical structure of AG-120

GC15601

AG-120

Also known as (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxopyrrolidine-2-carboxamide

AG-120 (AG-120) is an orally active inhibitor of isocitrate dehydrogenase 1 mutant (mIDH1) enzyme, it exhibits profound d-2-hydroxyglutatrate (2-HG) lowering in vivo

ChemicalCAS1448347-49-6MW582.96FormulaC28H22ClF3N6O3
CAS number
1448347-49-6
Molecular weight
582.96
Formula
C28H22ClF3N6O3
Solubility
≥ 58·3mg/mL in DMSO
InChIKey
WIJZXSAJMHAVGX-DHLKQENFSA-N
Catalogue number
GC15601
Brand
GLPBIO
Computed properties PubChem CID 71657455 · XLogP 3.4 · TPSA 119 Ų · H-bond donors 1
XLogP
3.4
TPSA
119 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
41

SMILES C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N

Computed descriptors from PubChem (CID 71657455), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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