Products 1448347-49-6

CAS 1448347-49-6 appears in our catalog under these names: Ivosidenib, >95% (HPLC), Ivosidenib/ 99.21% (existing batch purity), AG–120, AG 120, Ivosidenib 98%. Offered by: TRC, TargetMol, GLPBio, Biosynth, Ambeed. Available pack sizes: 250mg, 25mg, 50mg, 2mg, 5mg, 10mg, 100mg, 1g.

Structural formula: {0} (CAS {1})

Ivosidenib is a tertiary carboxamide resulting from the formal condensation of the carboxy group of (2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carboxylic acid with the secondary amino group of (2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-[(5-fluoropyridin-3-yl)amino]acetamide. It is approved by the FDA for the treatment of acute myeloid leukemia (AML) in patients with an isocitrate dehydrogenase-1 (IDH1) mutation. It has a role as an EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor and an antineoplastic agent. It is a secondary carboxamide, a tertiary carboxamide, a cyanopyridine, an organofluorine compound, a member of pyrrolidin-2-ones and a member of monochlorobenzenes.

Source: ChEBI

Identity
Molecular formulaC28H22ClF3N6O3
Molecular weight583.0 g/mol
IUPAC name(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
InChIKeyWIJZXSAJMHAVGX-DHLKQENFSA-N
SMILESC1CC(=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 by PubChem (NCBI)