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577778-58-6,MFCD17167057
Catalog No.:AA003HUB
577778-58-6 | Topiroxostat
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10mg
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1 week  
$130.00   $91.00
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25mg
99%
1 week  
$170.00   $119.00
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50mg
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$249.00   $174.00
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100mg
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$376.00   $263.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003HUB
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
Computed 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  

Synonyms
 
4-(5-pyridin-4-yl-1H-(1,2,4) triazol-3-yl)pyridine-2-carbonitrile 
FYX-051 
2-Pyridinecarbonitrile, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]- 
0J877412JV 
5-(2-cyano-4-pyridyl)-3-(4-pyridyl)-1,2,4-triazole 
AK310366 
4-(5-(Pyridin-4-yl)-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile 
4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile 
4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBONITRILE 
Topiroxostat [INN] 
Uriadec (TN) 
Topiroxostat/FYX 051 
topiroxostat 
AC1NRB9T 
Topiroxostat (JAN/INN) 
SCHEMBL860420 
SCHEMBL18056618 
CTK1F1296 
DTXSID80206462 
UBVZQGOVTLIHLH-UHFFFAOYSA-N 
BCP09957 
EX-A1197 
(FYX-051) 
Topiroxostat 
BDBM50311275 
MFCD17167057 
ZINC13536586 
AKOS026750465 
AKOS026751485 
CS-2033 
DB01685 
NCGC00378610-01 
BC600687 
HY-14874 
577778-58-6 
SC-91234 
SY116097 
FT-0700966 
KS-00000215 
MFCD17167057 (95%) 
A14144 
D09786 
4-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)picolinonitrile 
4-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolinonitrile 
4-[5-(4-Pyridyl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile 
FYX 051 
topiloric 
uriadec 
D0WK0P 
ACN-048289 
CID5288320 
SK-0910 
B1192 
C504882 
Xanthine oxidoreductase inhibitor (oral, gout), Fuji Yakuhin 
4-(5-pyridin-4-yl-1H-(1,2,4) triazol-3-yl)pyridine-2-carbonitrile 
FYX-051 
4-[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]-2-Pyridinecarbonitrile 
FYX 
4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE 
UNII-0J877412JV 
CHEMBL1078685 
Literature

Title: Mechanistic insights into xanthine oxidoreductase from development studies of candidate drugs to treat hyperuricemia and gout.

Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20150101

Title: QT/QTc study conducted in Japanese adult healthy subjects: a novel xanthine oxidase inhibitor topiroxostat was not associated with QT prolongation.

Journal: Journal of clinical pharmacology 20140401

Title: Effects of topiroxostat on the serum urate levels and urinary albumin excretion in hyperuricemic stage 3 chronic kidney disease patients with or without gout.

Journal: Clinical and experimental nephrology 20140101

Title: Study on species differences in nephropathy induced by FYX-051, a xanthine oxidoreductase inhibitor.

Journal: Archives of toxicology 20110501

Title: Establishment of simultaneous treatment model with citrate for preventing nephropathy induced by FYX-051, a xanthine oxidoreductase inhibitor, in rats.

Journal: Drug and chemical toxicology 20110401

Title: Study on toxicological aspects of crystal-mediated nephrotoxicity induced by FYX-051, a xanthine oxidoreductase inhibitor, in rats.

Journal: Drug and chemical toxicology 20110401

Title: FYX-051: a novel and potent hybrid-type inhibitor of xanthine oxidoreductase.

Journal: The Journal of pharmacology and experimental therapeutics 20110101

Title: 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].

Journal: Bioorganic & medicinal chemistry letters 20091101

Title: FYX-051, a xanthine oxidoreductase inhibitor, induces nephropathy in rats, but not in monkeys.

Journal: Toxicologic pathology 20090601

Title: [Inhibitors of xanthine oxidoreductase].

Journal: Nihon rinsho. Japanese journal of clinical medicine 20080401

Title: [New antihyperuricemic medicine: febuxostat, Puricase, etc].

Journal: Nihon rinsho. Japanese journal of clinical medicine 20080401

Title: Crystal structures of mammalian xanthine oxidoreductase bound with various inhibitors: allopurinol, febuxostat, and FYX-051.

Journal: Journal of Nippon Medical School = Nippon Ika Daigaku zasshi 20080201

Title: 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.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20071201

Title: Strain differences in the responsiveness between Sprague-Dawley and Fischer rats to nephropathy induced by FYX-051, a xanthine oxidoreductase inhibitor.

Journal: Toxicology and applied pharmacology 20061215

Title: 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.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20061101

Title: Simultaneous treatment with citrate prevents nephropathy induced by FYX-051, a xanthine oxidoreductase inhibitor, in rats.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20050901

Title: The crystal structure of xanthine oxidoreductase during catalysis: implications for reaction mechanism and enzyme inhibition.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20040525

Title: An extremely potent inhibitor of xanthine oxidoreductase. Crystal structure of the enzyme-inhibitor complex and mechanism of inhibition.

Journal: The Journal of biological chemistry 20030117

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