Topiroxostat - Moligand™, ≥98% , Xanthine dehydrogenase inhibitor, CAS No.577778-58-6, Xanthine dehydrogenase inhibitor

CAS: 577778-58-6 Cat. No.: T304047 분자식: C13H8N6 분자량: 248.24 PubChem CID: 5288320
주문 가능
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
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
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
1g
T304047-1g
3 재고 있음
—

US$38.90

US$58.90
저장 US$20.00 (33.96%)
5g
T304047-5g
3 재고 있음
—

US$155.90

US$233.90
저장 US$78.00 (33.35%)
25g
T304047-25g
1 재고 있음
—

US$546.90

US$820.90
저장 US$274.00 (33.38%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

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

Specifications

동의어
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
사양 및 순도
Moligand™, ≥98%
보관 조건
Store at -20°C,Desiccated
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
등급
Moligand™
작업 유형
INHIBITOR
작동 메커니즘
Xanthine dehydrogenase inhibitor
순수함
≥98%
제품 특성
ALogP
1.2
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763515
정식 스마일
C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N
IUPAC Name
4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
InChIKey
UBVZQGOVTLIHLH-UHFFFAOYSA-N
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)
이성체 SMILES
C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N
대체 CAS
577778-58-6
PubChem CID
5288320
MeSH 용어
4-(5-pyridin-4-yl-1H-(1,2,4) triazol-3-yl)pyridine-2-carbonitrile;FYX-051;topiroxostat
분자량
248.24

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Pyridines and derivatives
SubclassPyridyltriazoles
Intermediate Tree Nodes Not available
Direct ParentPyridyl-1,2,4-triazoles
Alternative Parents Triazoles  Heteroaromatic compounds  Nitriles  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
설명This 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
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
XDH Tclin Xanthine dehydrogenase/oxidase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
XDH Tclin Xanthine dehydrogenase (1038 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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.

4 results found

Lot NumberCertificate Type날짜항목
A2614135Certificate of AnalysisJan 19, 2026 T304047
H2104409Certificate of AnalysisMay 13, 2024 T304047
H2104411Certificate of AnalysisMay 13, 2024 T304047
H2104412Certificate of AnalysisMay 13, 2024 T304047
화학 및 물리적 특성
분자량248.240 g/mol
XLogP31.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass248.081 Da
Monoisotopic Mass248.081 Da
Topological Polar Surface Area91.100 Ų
Heavy Atom Count19
Formal Charge0
Complexity344.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
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