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
CAS 108605-62-5 MFCD00910058
化学结构图
SMILES: C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
化学属性
| Mol. Formula | C12H9F3N2O2 |
|---|---|
| Mol. Weight | 270.20727 |
| Appearance | White to off-white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| 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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产品应用
- 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.
