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Febuxostat

CAT: 0804-HY-14268-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14268-01Size:5 mg
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Description
Febuxostat (TEI 6720) is a potent, selective and non-purine xanthine oxidase (XO) inhibitor with a Ki value of 0.6 nM. Febuxostat has the potential for the research of hyperuricemia and gout[1][2][3].
CAS Number
144060-53-7
Product Name Alternative
TEI 6720; TMX 67
UNSPSC
12352005
Hazard Statement
H301
Target
Xanthine Oxidase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Metabolic Disease; Cardiovascular Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/Febuxostat.html
Purity
99.94
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CC(COC1=CC=C(C=C1C#N)C2=NC(C)=C(S2)C(O)=O)C
Molecular Formula
C16H16N2O3S
Molecular Weight
316.37
Precautions
H301
References & Citations
[1]Takano Y, et al. Selectivity of febuxostat, a novel non-purine inhibitor of xanthine oxidase/xanthine dehydrogenase. Life Sci, 2005, 76 (16), 1835-1847.|[2]Sanchez-Lozada LG, et al. Effects of febuxostat on metabolic and renal alterations in rats with fructose-induced metabolic syndrome. Am J Physiol Renal Physiol, 2008, 294 (4), F710-F718.|[3]Sanchez-Lozada LG, et al. Effect of febuxostat on the progression of renal disease in 5/6 nephrectomy rats with and without hyperuricemia. Nephron Physiol, 2008, 108 (4), p69-p78.|[4]Nomura J, et al. Xanthine oxidase inhibition by febuxostat attenuates experimental atherosclerosis in mice. Sci Rep. 2014 Apr 1;4:4554.|[5]Karve AV, et al. Evaluation of effect of allopurinol and febuxostat in behavioral model of depression in mice. Indian J Pharmacol. 2013 May-Jun;45 (3) :244-7.|[6]Khames A, et al. Ameliorative effects of sildenafil and/or febuxostat on doxorubicin-induced nephrotoxicity in rats. Eur J Pharmacol. 2017 Jun 15;805:118-124.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Febuxostat

Febuxostat is a 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor. It is a nitrile, an aromatic ether and a 1,3-thiazolemonocarboxylic acid.

CAS Number144060-53-7
PubChem CID134018
IUPAC Name2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Molecular FormulaC16H16N2O3S
Molecular Weight316.4
XLogP3.9
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity448
SMILES
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O
InChI
InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
InChIKey
BQSJTQLCZDPROO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Febuxostat
CAS: 144060-53-7
CID: 134018
Formula: C16H16N2O3S
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass316.08816355
Monoisotopic Mass316.08816355
Topological Polar Surface Area111 Ų
Heavy Atom Count22
Formal Charge0
Complexity448
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
011935Febuxostat

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