1357056

Leflunomide Related Compound B

United States Pharmacopeia (USP) Reference Standard

• Synonym(s): 2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide
• Empirical Formula (Hill Notation): C₁₂H₉F₃N₂O₂
• CAS Number: 108605-62-5
• Molecular Weight: 270.21
• MDL number: MFCD00910058
• UNSPSC Code: 41116107
• PubChem Substance ID: 329750239
• NACRES: NA.24

Properties

• grade: pharmaceutical primary standard
• API family: leflunomide
• manufacturer/tradename: USP
• application(s): pharmaceutical (small molecule)
• format: neat
• SMILES string: O=C(/C(C#N)=C(O)/C)NC1=CC=C(C(F)(F)F)C=C1
• 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-
• InChI key: UTNUDOFZCWSZMS-YFHOEESVSA-N
• Gene Information: human ... DHODH(1723)

Description

General description

Leflunomide Related Compound B (2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide is a malononitrilamide which is a water soluble metabolite of Leflunomide. It is considered as a noncompetitive inhibitor of dihydro-orotate dehydrogensae. This metabolite has been reported to initially target activated lymphocytes.

Analysis Note

These products are for test and assay use only. They are not meant for administration to humans or animals and cannot be used to diagnose, treat, or cure diseases of any kind.  ​

Other Notes

Sales restrictions may apply.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable