CGP 25454A - ≥99% , CAS No.104391-26-6

CAS: 104391-26-6 Cat. No.: C649743 Peso molecular: 346.25 PubChem CID: 9819590

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

CGP 25454A is a novel and selective presynaptic dopamine autoreceptor antagonist.In vitro: CGP 25454A increase the field-stimulated [3H]- and [14C]-overflow from rat striatal slices preloaded with [3H]dopamine and [14C]choline, indicating that CGP 25454A is able to enhance the release of both dopamine (DA) and acetylcholine (ACh). However, CGP 25454A is 12.9 times more potent in increasing, by 1/6 of the apparent maximal increase, the release of [3H]DA than that of [14C]ACh.In vivo: CGP 25454A increase [3H]spiperone binding to receptors of the D2 family in rat striatum by 90-110% (ED50: 13 mg/kg i.p.). As a similar increase in [3H]spiperone binding is found with a variety of agents which increase the synaptic concentration of endogenous DA, the effect of CGP 25454A most probably reflects an enhanced release of DA under in vivo conditions. At 30-100 mg/kg, CGP 25454A inhibit [3H]spiperone binding in the pituitary of the same animals as a result of a blockade of postsynaptic DA receptors.

Form:Solid

Specifications

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

CGP 25454A is a novel and selective presynaptic dopamine autoreceptor antagonist. \nIn vitro: CGP 25454A increase the field-stimulated [3H]- and [14C]-overflow from rat striatal slices preloaded with [3H]dopamine and [14C]choline, indicating that CGP 2545

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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Tipo de acción

ANTAGONIST

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)CCNC(=O)C1=C(C=C(C(=C1)C#N)Cl)OC.Cl
• IUPAC Name: 4-chloro-5-cyano-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride
• InChIKey: ZETCQNUMZFZSLJ-UHFFFAOYSA-N
• INCHI: 1S/C15H20ClN3O2.ClH/c1-4-19(5-2)7-6-18-15(20)12-8-11(10-17)13(16)9-14(12)21-3;/h8-9H,4-7H2,1-3H3,(H,18,20);1H
• Isómeros SMILES: CCN(CC)CCNC(=O)C1=C(C=C(C(=C1)C#N)Cl)OC.Cl
• PubChem CID: 9819590
• Términos de entrada MeSH: CGP 25454A;CGP-25454A;N-(diethylaminoethyl)-4-chloro-5-cyano-2-methoxybenzamide hydrochloride
• Peso molecular: 346.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Benzonitriles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Nitriles Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Benzamide - Anisole - Benzonitrile - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organic oxygen compound - Organochloride - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Hydrochloride - Organohalogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene 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

Propiedades químicas y físicas

• Solubilidad: DMSO : ≥ 3.5 mg/mL (10.11 mM)
• Peso molecular: 346.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 345.101 Da
• Monoisotopic Mass: 345.101 Da
• Topological Polar Surface Area: 65.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 378.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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