| Identification | Back Directory | [Name]
Teriflunomide Impurity 3 | [CAS]
62004-05-1 | [Synonyms]
Leflunomide Impurity 3
Teriflunomide Impurity 3
Teriflunomide-3-isomer/ 3-Trifluoro Isomer
2-Butenamide, 2-cyano-3-hydroxy-N-[3-(trifluoromethyl)phenyl]- | [Molecular Formula]
C12H9F3N2O2 | [MOL File]
62004-05-1.mol | [Molecular Weight]
270.21 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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. |
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