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Topiroxostat - 98%, high purity , Xanthine dehydrogenase inhibitor, CAS No.577778-58-6, Xanthine dehydrogenase inhibitor

1 Citations COA COA
In stock
Item Number
T304047
Grouped product items
SKU Size
Availability
 Price Qty
T304047-1g
1g
3
$103.90
T304047-5g
5g
3
$412.90
T304047-25g
25g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$1,648.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Amino Acid/Protein Metabolism (1836) Cytochrome P450 (241) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) xanthine dehydrogenase Inhibitor (3) Xanthine Oxidase (24)

Basic Description

Synonyms 4-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolinonitrile | 2-Pyridinecarbonitrile, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]- | AKOS026750465 | UBVZQGOVTLIHLH-UHFFFAOYSA-N | FYX 051 | GTPL10592 | 4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBO
Specifications & Purity Moligand™, ≥98%
Storage Temp Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Xanthine dehydrogenase inhibitor
Product Description

Topiroxostat is a xanthine oxidoreductase (XOR) inhibitor。Topiroxostat exhibits weak CYP3A4-inhibitory activity (18.6%). 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Pyridines and derivatives
Subclass Pyridyltriazoles
Intermediate Tree Nodes Not available
Direct Parent Pyridyl-1,2,4-triazoles
Alternative Parents Triazoles  Heteroaromatic compounds  Nitriles  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Pyridyl-1,2,4-triazole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
External Descriptors Not available

Product Properties

ALogP 1.2

Associated Targets(Human)

XDH Tclin Xanthine dehydrogenase/oxidase (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
XDH Tclin Xanthine dehydrogenase (1038 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504763515
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504763515
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)
InChIKey UBVZQGOVTLIHLH-UHFFFAOYSA-N
Smiles C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N
Isomeric SMILES C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N
Alternate CAS 577778-58-6
PubChem CID 5288320
MeSH Entry Terms 4-(5-pyridin-4-yl-1H-(1,2,4) triazol-3-yl)pyridine-2-carbonitrile;FYX-051;topiroxostat
Molecular Weight 248.24

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
H2104409 Certificate of Analysis May 13, 2024 T304047
H2104411 Certificate of Analysis May 13, 2024 T304047
H2104412 Certificate of Analysis May 13, 2024 T304047

Chemical and Physical Properties

Molecular Weight 248.240 g/mol
XLogP3 1.200
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 248.081 Da
Monoisotopic Mass 248.081 Da
Topological Polar Surface Area 91.100 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 344.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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