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Leflunomide

CAT: 1568-C07653-03Size: 500 mgDry Ice: YesHazardous: No
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CAT#:1568-C07653-03Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75706-12-6
Synonyms
HWA486, RS-34821, SU101
SKU
C07653-100mg
Target
Dehydrogenase
Applications
Metabolism
Smiles
CC1=C (C=NO1) C (=O) NC2=CC=C (C=C2) C (F) (F) F
Molecular Formula
C12H9F3N2O2
Additionnal Information
Leflunomide is a pyrimidine synthesis and protein tyrosine kinase inhibitor belonging to the DMARD, used as an immunosuppressant agent. The active metabolite of Leflunomide is A77 1726, which inhibits dihydroorotate dehydrogenase (DHODH) . Leflunomide is also an agonist of the AhR.
Storage Conditions
2 years -80 in solvent

Chemical Information

Leflunomide

Leflunomide is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide. It has a role as an antiparasitic agent, a non-steroidal anti-inflammatory drug, an antineoplastic agent, an immunosuppressive agent, an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor, a tyrosine kinase inhibitor, a prodrug, a hepatotoxic agent, an EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor and a pyrimidine synthesis inhibitor. It is a monocarboxylic acid amide, a member of isoxazoles and a member of (trifluoromethyl)benzenes.

CAS Number75706-12-6
PubChem CID3899
IUPAC Name5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21
XLogP2.5
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity327
SMILES
CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKey
VHOGYURTWQBHIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Leflunomide
CAS: 75706-12-6
CID: 3899
Formula: C12H9F3N2O2
MW: 270.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.21
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass270.06161202
Monoisotopic Mass270.06161202
Topological Polar Surface Area55.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
255673Leflunomide

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