CP 465022 hydrochloride - ≥98% , CAS No.1785666-59-2

CAS: 1785666-59-2 Cat. No.: C288020 Molecular Weight: 499.41 PubChem CID: 53251536

GRADE & PURITY ≥98%

Synonyms

3-(2-Chlorophenyl)-2-[2-[6-[(diethylamino)methyl]-2-pyridinyl]ethenyl]-6-fluoro-4(3H)-quinazolinone hydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

product description：

CP-465022 hydrochloride is a potent, and selective noncompetitive AMPA receptor antagonist with anticonvulsant activity. CP-465022 is against Kainate-induced response with an IC50 of 25 nM in rat cortical neurons. CP-465022 provides a new tool to investigate the role of AMPA receptors in physiological and pathophysiological processes。

Specifications

Synonyms

3-(2-Chlorophenyl)-2-[2-[6-[(diethylamino)methyl]-2-pyridinyl]ethenyl]-6-fluoro-4(3H)-quinazolinone hydrochloride

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Selective, non-competitive AMPA antagonist (IC50= 25 nM in rat cortical neurons) that displays potent anticonvulsant activity. Also significantly blocks the persistent component of Nav1.6 channel activity.

Storage

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.

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201563
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201563
• Canonical Smiles: CCN(CC)CC1=NC(=CC=C1)C=CC2=NC3=C(C=C(C=C3)F)C(=O)N2C4=CC=CC=C4Cl.Cl
• IUPAC Name: 3-(2-chlorophenyl)-2-[(E)-2-[6-(diethylaminomethyl)pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one;hydrochloride
• InChIKey: YKYDGCRJPYLXHY-GVYCEHEKSA-N
• INCHI: 1S/C26H24ClFN4O.ClH/c1-3-31(4-2)17-20-9-7-8-19(29-20)13-15-25-30-23-14-12-18(28)16-21(23)26(33)32(25)24-11-6-5-10-22(24)27;/h5-16H,3-4,17H2,1-2H3;1H/b15-13+
• Isomeric SMILES: CCN(CC)CC1=NC(=CC=C1)/C=C/C2=NC3=C(C=C(C=C3)F)C(=O)N2C4=CC=CC=C4Cl.Cl
• PubChem CID: 53251536
• Molecular Weight: 499.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: 6-substituted-2-pyridinylmethylamines Pyrimidones Aralkylamines Chlorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organofluorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - 6-substituted-2-pyridinylmethylamine - 2-pyridylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Pyrimidone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Hydrochloride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 4.99, Max Conc. mM: 10; Solvent:DMSO, Max Conc. mg/mL: 49.94, Max Conc. mM: 100
• Molecular Weight: 499.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 498.139 Da
• Monoisotopic Mass: 498.139 Da
• Topological Polar Surface Area: 48.800 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 727.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3