Teriflunomide Impurity 3 Chemical Properties

Boiling point:

405.5±45.0 °C(Predicted)

Density 

1.424±0.06 g/cm3(Predicted)

pka

5.20±0.50(Predicted)

InChI

InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-3-8(5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)

InChIKey

UJBZHNQIBVHDDU-UHFFFAOYSA-N

SMILES

C(NC1=CC=CC(C(F)(F)F)=C1)(=O)C(C#N)=C(O)C

Teriflunomide Impurity 3 Usage And Synthesis

Uses

2-Cyano-3-hydroxy-N-[3-(trifluoromethyl)phenyl]-2-butenamide is a derivative of Leflunomide(L322750) which is an immunosuppressive. Inhibits T and B cell proliferation. Activity is attributed mainly to its metabolite, a malononitrile derivative, which is beleived to inhibit dihydroorotate dehydrogenase as well as several protein tyrosine kinases. Therapeutically as a antirheumatic (Merck Index).This compound is suitable for dihydroorotate dehydrogenase (DHODH) related research.