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

Descripción general

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

Sinónimos

(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 |

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Tipo de acción

ANTAGONIST

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488196359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196359
• Sonrisas canónicas: 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+
• Isómeros SMILES: CCN(CC)CC1=NC(=CC=C1)/C=C/C2=NC3=C(C=C(C=C3)F)C(=O)N2C4=CC=CC=C4Cl
• Peso molecular: 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
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: insoluble in H2O; <49.94mg/ml in DMSO
• Índice de refracción: n20D1.62 (Predicted)
• Peso molecular: 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