A-740003 - Moligand™, ≥98% , Antagonist of P2X7, CAS No.861393-28-4, Antagonist of P2X7

CAS: 861393-28-4 Cat. No.: A126213 Molecular Weight: 474.55 EC Number: 684-996-8

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-[1-[(E)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Synonyms

N-[1-[(E)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2, 2-dimethylpropyl]-2-(3, 4-dimethoxyphenyl)acetamide

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of P2X7

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766326
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766326
• Canonical Smiles: 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)
• Isomeric 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 Germany: 3
• Molecular Weight: 474.55
• Reaxy-Rn: 32097220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32097220&ln=

Associated Targets(Human)

P2RX7 Tchem P2X purinoceptor 7 (1 Activities)

Discover Target: P2RX7

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 9.49, Max Conc. mM: 20
• Molecular Weight: 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