SKF 83822 - ≥98% , CAS No.74115-08-5

CAS: 74115-08-5 Cat. No.: S648537 Fórmula: C₂₀H₂₂ClNO₂ Peso molecular: 343.85 Número CE: 804-119-6 PubChem CID: 10020353

GRADE & PURITY ≥98%

Synonyms

BDBM86277 | Q27132961 | AKOS040746351 | 9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | UNII-661JNG0144 | SK&F 83822 | DTXSID3043819 | 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-pro

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Visão geral

SKF 83822 is an atypical agonist of dopamine D1 receptor . SKF 83822 activates adenylyl cyclase (AC), but not phospholipase C (PLC). SKF 83822 is also proved to stimulate AC via cAMP production. SKF 83822 can be used for research of schizophrenia

In Vivo

SKF 83822 (25-100 μg/kg; s.c.; single dose after antagonist) produces a strong rotational response in rat in a dose-dependent manner. And it also stimulates strong expression of the IEG products c-Fos, Fra2, Zif/268 and Arc in the deinnervated striatum . SKF 83822 shows significant effects in a moderate and high dose with 0.25 mg/kg and 0.35 mg/kg, respectively, in monkeys. And it (0.15-0.35 mg/kg; s.c.; single dose) induces locomotion but nor inducing dyskinesia. SKF 83822 results in a state of extreme arousal and locomotor activation without stereotypy. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Adult, male Sprague-Dawley derived rats Dosage: 6.25 μg/kg, 25 μg/kg, 50 μg/kg, and 100 μg/kg; with or without 0.5 mg/kg antagonist SCH 23390. Administration: SC; single dose, 30 min after antagonist treatment. Result: Produced a strong rotational response at 50 μg/kg which was approximately midway between that produced by the 25 and 100 μg/kg doses in the first experiment. Could be inhibited by antagonist of dopamine D1 receptor, SCH 23390.

Form:Solid

IC50& Target:Rat D 1 Receptor

Specifications

Sinónimos

BDBM86277 | Q27132961 | AKOS040746351 | 9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | UNII-661JNG0144 | SK&F 83822 | DTXSID3043819 | 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-pro

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

SKF 83822 is an atypical agonist of dopamine D1 receptor . SKF 83822 activates adenylyl cyclase (AC), but not phospholipase C (PLC). SKF 83822 is also proved to stimulate AC via cAMP production. SKF 83822 can be used for research of schizophrenia

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C
• IUPAC Name: 9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
• InChIKey: HLNOXCRCYMOMLA-UHFFFAOYSA-N
• INCHI: 1S/C20H22ClNO2/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3
• SMILES isoméricas: CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C
• CAS alternativo: 74115-08-5
• PubChem CID: 10020353
• Termos de entrada MeSH: 3-allyl-6-chloro-7,8-dihydroxy-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;SKF 83822
• Peso molecular: 343.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Toluenes Azepines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Aralkylamine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
• External Descriptors: tertiary amino compound - organochlorine compound - catechols - benzazepine

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

Alvos associados (humanos)

DRD1 Tclin D(1A) dopamine receptor (2 Activities)

Discover Target: DRD1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (290.82 mM; Need ultrasonic)
• Peso molecular: 343.800 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 343.134 Da
• Monoisotopic Mass: 343.134 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 432.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1