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Topiroxostat

CAS No.:
577778-58-6
Catalog Number:
AG003HX3
Molecular Formula:
C13H8N6
Molecular Weight:
248.2428
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$126
- +
25mg
99%
1 week
United States
$161
- +
50mg
99%
1 week
United States
$230
- +
100mg
99%
1 week
United States
$341
- +
Product Description
Catalog Number:
AG003HX3
Chemical Name:
Topiroxostat
CAS Number:
577778-58-6
Molecular Formula:
C13H8N6
Molecular Weight:
248.2428
MDL Number:
MFCD17167057
IUPAC Name:
4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
InChI:
InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)
InChI Key:
UBVZQGOVTLIHLH-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(c1)c1[nH]nc(n1)c1ccncc1
UNII:
0J877412JV
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.081g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.249g/mol
Monoisotopic Mass:
248.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Mechanistic insights into xanthine oxidoreductase from development studies of candidate drugs to treat hyperuricemia and gout. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20150101
QT/QTc study conducted in Japanese adult healthy subjects: a novel xanthine oxidase inhibitor topiroxostat was not associated with QT prolongation. Journal of clinical pharmacology 20140401
Effects of topiroxostat on the serum urate levels and urinary albumin excretion in hyperuricemic stage 3 chronic kidney disease patients with or without gout. Clinical and experimental nephrology 20140101
Study on species differences in nephropathy induced by FYX-051, a xanthine oxidoreductase inhibitor. Archives of toxicology 20110501
Establishment of simultaneous treatment model with citrate for preventing nephropathy induced by FYX-051, a xanthine oxidoreductase inhibitor, in rats. Drug and chemical toxicology 20110401
Study on toxicological aspects of crystal-mediated nephrotoxicity induced by FYX-051, a xanthine oxidoreductase inhibitor, in rats. Drug and chemical toxicology 20110401
FYX-051: a novel and potent hybrid-type inhibitor of xanthine oxidoreductase. The Journal of pharmacology and experimental therapeutics 20110101
Discovery of 3-(2-cyano-4-pyridyl)-5-(4-pyridyl)-1,2,4-triazole, FYX-051 - a xanthine oxidoreductase inhibitor for the treatment of hyperuricemia [corrected]. Bioorganic & medicinal chemistry letters 20091101
FYX-051, a xanthine oxidoreductase inhibitor, induces nephropathy in rats, but not in monkeys. Toxicologic pathology 20090601
[Inhibitors of xanthine oxidoreductase]. Nihon rinsho. Japanese journal of clinical medicine 20080401
[New antihyperuricemic medicine: febuxostat, Puricase, etc]. Nihon rinsho. Japanese journal of clinical medicine 20080401
Crystal structures of mammalian xanthine oxidoreductase bound with various inhibitors: allopurinol, febuxostat, and FYX-051. Journal of Nippon Medical School = Nippon Ika Daigaku zasshi 20080201
Characterization of N-glucuronidation of 4-(5-pyridin-4-yl-1H-[1,2,4]triazol-3-yl) pyridine-2-carbonitrile (FYX-051): a new xanthine oxidoreductase inhibitor. Drug metabolism and disposition: the biological fate of chemicals 20071201
Strain differences in the responsiveness between Sprague-Dawley and Fischer rats to nephropathy induced by FYX-051, a xanthine oxidoreductase inhibitor. Toxicology and applied pharmacology 20061215
Metabolic profile of FYX-051 (4-(5-pyridin-4-yl-1h-[1,2,4]triazol-3-yl)pyridine-2-carbonitrile) in the rat, dog, monkey, and human: identification of N-glucuronides and N-glucosides. Drug metabolism and disposition: the biological fate of chemicals 20061101
Simultaneous treatment with citrate prevents nephropathy induced by FYX-051, a xanthine oxidoreductase inhibitor, in rats. Toxicological sciences : an official journal of the Society of Toxicology 20050901
The crystal structure of xanthine oxidoreductase during catalysis: implications for reaction mechanism and enzyme inhibition. Proceedings of the National Academy of Sciences of the United States of America 20040525
An extremely potent inhibitor of xanthine oxidoreductase. Crystal structure of the enzyme-inhibitor complex and mechanism of inhibition. The Journal of biological chemistry 20030117
Properties