CAS 108605-62-5 MFCD00910058-2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide 2-氰基-3-羟基-N-(4-三氟甲基苯基)巴豆酰胺 -LabNovo

SMILES: C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1

Mol. Formula	C12H9F3N2O2
Mol. Weight	270.20727
Appearance	White to off-white solid powder
Solubility	Soluble in DMSO, not in water

Chemical Name	2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide
Chemical Name Translation	2-氰基-3-羟基-N-(4-三氟甲基苯基)巴豆酰胺
Formula	C12H9F3N2O2
Synonym	A77 1726; A771726; A-771726; HMR1726; HMR-1726; HMR 1726; teriflunomide; Brande name: Aubagio.
IUPAC Name	(Z)-2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamide.
InChIKey	UTNUDOFZCWSZMS-YFHOEESVSA-N
InChI	InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
Canonical SMILES	C/C(O)=C(C#N)/C(NC1=CC=C(C(F)(F)F)C=C1)=O

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Teriflunomide, aslo known as A77 1726, is the active metabolite of leflunomide. Teriflunomide is an immunomodulatory drug inhibiting pyrimidine de novo synthesis by blocking the enzyme dihydroorotate dehydrogenase. It is uncertain whether this explains its effect on MS lesions. Teriflunomide inhibits rapidly dividing cells, including activated T cells, which are thought to drive the disease process in MS. It has been found that teriflunomide blocks the transcription factor NF-κB. The drug was approved by the FDA on September 13, 2012.

Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

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