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LUF 5834 - ≥98%(HPLC) , CAS No.333962-91-7

CAS: 333962-91-7 Cat. No.: L288299 분자식: C17H12N6OS 분자량: 348.38
COA
LUF 5834 - ≥98%(HPLC) CAS No(333962-91-7) by Aladdin Scientific
주문 가능
GRADE & PURITY ≥98%(HPLC)
Synonyms
2-Amino-4-(4-hydroxyphenyl)-6-[(1H-imidazol-2-ylmethyl)thio]-3,5-pyridinedicarbonitrile | 2-Amino-4-(4-hydroxy-phenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)-pyridine-3,5-dicarbonitrile | 2-amino-4-(4-hydroxyphenyl)-6-(1h-imidazol-2-ylmethylsulfanyl)pyridine-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
10mg
L288299-10mg
주문제작 · 8~12주
US$471.90
50mg
L288299-50mg
주문제작 · 8~12주
US$1,979.90
Enter a quantity for the sizes you want to add.
Bulk / Custom
♡ 위시 리스트 ⇅ 비교하기에 추가 ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
2-Amino-4-(4-hydroxyphenyl)-6-[(1H-imidazol-2-ylmethyl)thio]-3,5-pyridinedicarbonitrile | 2-Amino-4-(4-hydroxy-phenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)-pyridine-3,5-dicarbonitrile | 2-amino-4-(4-hydroxyphenyl)-6-(1h-imidazol-2-ylmethylsulfanyl)pyridine-
사양 및 순도
≥98%(HPLC)
생화학 및 생리적 메커니즘
Potent A2Aand A2Badenosine receptor partial agonist ( Ki= 2.6 nM and EC50= 12 nM respectively). Also exhibits selectivity for A1over A3(Kivalues are 2.6 and 538 nM respectively).
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
작업 유형
AGONIST
순수함
≥98%(HPLC)
이름과 식별자
정식 스마일C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=NC=CN3)N)C#N)O
IUPAC Name2-amino-4-(4-hydroxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
InChIKeyOFHKDLYFKPBXER-UHFFFAOYSA-N
INCHI1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
이성체 SMILES C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=NC=CN3)N)C#N)O
분자량 348.38
Reaxy-Rn 9727947
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9727947&ln=

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
SubclassPhenylpyridines
Intermediate Tree Nodes Not available
Direct ParentPhenylpyridines
Alternative Parents 3-pyridinecarbonitriles  Aminopyridines and derivatives  Alkylarylthioethers  1-hydroxy-2-unsubstituted benzenoids  Imidolactams  Benzene and substituted derivatives  Imidazoles  Heteroaromatic compounds  Sulfenyl compounds  Nitriles  Azacyclic compounds  Primary amines  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 4-phenylpyridine - Aryl thioether - 3-pyridinecarbonitrile - Aminopyridine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Primary amine - Cyanide - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
ADORA2A Tclin Adenosine receptor A2a (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA2B Tclin Adenosine receptor A2b (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA1 Tclin Adenosine receptor A1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2B Tclin Adenosine A2b receptor (7672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 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:
화학 및 물리적 특성
용해성Solvent:DMSO, Max Conc. mg/mL: 34.84, Max Conc. mM: 100
분자량348.400 g/mol
XLogP32.300
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass348.079 Da
Monoisotopic Mass348.079 Da
Topological Polar Surface Area161.000 Ų
Heavy Atom Count25
Formal Charge0
Complexity548.000
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
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