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Chemical structure of AG-120 (racemic)

GC25039

AG-120 (racemic)

Also known as (2S)-N-[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 (racemic), the racemic mixture of AG-120, is an orally available inhibitor of isocitrate dehydrogenase type 1 (IDH1) with potential antineoplastic activity

ChemicalCAS1448346-63-1MW582.96FormulaC28H22ClF3N6O3
CAS number
1448346-63-1
Molecular weight
582.96
Formula
C28H22ClF3N6O3
Solubility
DMSO: 100 mg/mL (171·54 mM);Water: Insoluble;Ethanol: 100 mg/mL (171·54 mM)
InChIKey
WIJZXSAJMHAVGX-XADRRFQNSA-N
Catalogue number
GC25039
Brand
GLPBIO
Computed properties PubChem CID 89699486 · 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(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N

Computed descriptors from PubChem (CID 89699486), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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