A-740003 - Moligand™, 10mM in DMSO , Antagonist of P2X7, CAS No.861393-28-4, Antagonist of P2X7

CAS: 861393-28-4 Cat. No.: A580287 분자식: C₂₆H₃₀N₆O₃ 분자량: 474.55 EC 번호: 684-996-8

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

861393-28-4|A-740003|A 740003|n-(1-{[(cyanoimino)(5-quinolinylamino)methyl]amino}-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide|CHEMBL255787|N-[1-[[(CYANOAMINO)(5-QUINOLINYLIMINO)METHYL]AMINO]-2,2-DIMETHYLPROPYL]-3,4-DIMETHOXYBENZENEACETAMIDE|SCHEM

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

A-740003 is potent, selective and competitive P2X7 receptor antagonist (IC50 values are 18 and 40 nM for rat and human receptors respectively).
A potent, selective and competitive P2X7 receptor antagonist

Specifications

동의어

861393-28-4 | A-740003 | A 740003 | n-(1-{[(cyanoimino)(5-quinolinylamino)methyl]amino}-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide | CHEMBL255787 | N-[1-[[(CYANOAMINO)(5-QUINOLINYLIMINO)METHYL]AMINO]-2,2-DIMETHYLPROPYL]-3,4-DIMETHOXYBENZENEACETAMIDE | SCHEM

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

Potent and selective P2X7receptor antagonist (IC50values are 18 and 40 nM for rat and human receptors respectively). Displays selectivity over a variety of P2X and P2Y receptors up to a concentration of 100μM. Reduces nociception in animal models of persi

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of P2X7

이름과 식별자

• 정식 스마일: CC(C)(C)C(NC(=O)CC1=CC(=C(C=C1)OC)OC)N=C(NC#N)NC2=CC=CC3=C2C=CC=N3
• IUPAC Name: N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
• InChIKey: PUHSRMSFDASMAE-UHFFFAOYSA-N
• INCHI: 1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)
• 이성체 SMILES: CC(C)(C)C(NC(=O)CC1=CC(=C(C=C1)OC)OC)/N=C(\NC#N)/NC2=CC=CC3=C2C=CC=N3
• WGK 독일: 3
• 분자량: 474.55
• Reaxy-Rn: 32097220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32097220&ln=

관련 대상(인간)

P2RX7 Tchem P2X purinoceptor 7 (1 Activities)

Discover Target: P2RX7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 9.49, Max Conc. mM: 20
• 분자량: 474.600 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 474.238 Da
• Monoisotopic Mass: 474.238 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 773.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1