CP 465022 hydrochloride - ≥99% , CAS No.199655-36-2

CAS: 199655-36-2 Cat. No.: C338648 Molecular Weight: 462.91(free basis)

GRADE & PURITY ≥99%

Synonyms

(R)-3-(2-Chloro-phenyl)-2-[(E)-2-(6-diethylaminomethyl-pyridin-2-yl)-vinyl]-6-fluoro-3H-quinazolin-4-one | 3-(2-Chloro-phenyl)-2-[(E)-2-(6-diethylaminomethyl-pyridin-2-yl)-vinyl]-6-fluoro-3H-quinazolin-4-one | PDSP2_000235 | PDSP1_000237 | PDSP2_000236 |

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

CP 465022 hydrochloride is a selective GluR (AMPA) antagonist which is non-competitive. GluR (AMPA) is a transmembrane glutamate receptor composed of the subunits GluR-1,2,3,4.

Specifications

Synonyms

(R)-3-(2-Chloro-phenyl)-2-[(E)-2-(6-diethylaminomethyl-pyridin-2-yl)-vinyl]-6-fluoro-3H-quinazolin-4-one | 3-(2-Chloro-phenyl)-2-[(E)-2-(6-diethylaminomethyl-pyridin-2-yl)-vinyl]-6-fluoro-3H-quinazolin-4-one | PDSP2_000235 | PDSP1_000237 | PDSP2_000236 |

Specifications & Purity

≥99%

Storage

Room temperature, Desiccated

Shipped In

Normal

Action Type

ANTAGONIST

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488196359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196359
• Canonical Smiles: CCN(CC)CC1=NC(=CC=C1)C=CC2=NC3=C(C=C(C=C3)F)C(=O)N2C4=CC=CC=C4Cl
• IUPAC Name: 3-(2-chlorophenyl)-2-[(E)-2-[6-(diethylaminomethyl)pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one
• InChIKey: HYHNPUGUPISSQO-FYWRMAATSA-N
• INCHI: 1S/C26H24ClFN4O/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/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
• Molecular Weight: 462.91(free basis)
• Reaxy-Rn: 22638833
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22638833&ln=

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 Chlorobenzenes Aralkylamines Aryl fluorides Aryl chlorides Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - 6-substituted-2-pyridinylmethylamine - 2-pyridylmethylamine - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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

Associated Targets(non-human)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: insoluble in H2O; <49.94mg/ml in DMSO
• Refractive Index: n20D1.62 (Predicted)
• Molecular Weight: 462.900 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 462.162 Da
• Monoisotopic Mass: 462.162 Da
• Topological Polar Surface Area: 48.800 Ų
• Heavy Atom Count: 33
• 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: 1