SB 242084 - Moligand™, ≥98% , Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor, CAS No.181632-25-7, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor

CAS: 181632-25-7 Cat. No.: S168053 Fórmula: C₂₁H₁₉ClN₄O₂ Peso molecular: 394.85 PubChem CID: 16219981

GRADE & PURITY Moligand™, ≥98%

Synonyms

6-Cloro-5-metil-N-(6-((2-metilpiridin-3-il)oxi)piridin-3-il)indolina-1-carboxamida

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

O SB 242084 é um antagonista seletivo, competitivo e de elevada afinidade (pKi=9,0) dos receptores 5-HT2C (atravessa a barreira hemato-encefálica). O SB 242084 aumenta a atividade basal dos neurónios dopaminérgicos na área tegmentar ventral (VTA) do mesencéfalo e a libertação de dopamina no núcleo vomeronasal. O SB 242084 também aumenta a expressão do gene mitocondrial e o metabolismo oxidativo através do recetor 5-HT2A. O SB 242084 tem um bom potencial de investigação nos sintomas negativos da ansiedade, depressão e esquizofrenia, bem como em lesões agudas de órgãos

Specifications

Sinónimos

6-Cloro-5-metil-N-(6-((2-metilpiridin-3-il)oxi)piridin-3-il)indolina-1-carboxamida

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Grau

Moligand™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl.Cl
• IUPAC Name: 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride
• InChIKey: GCMNSEILNIPNSX-UHFFFAOYSA-N
• INCHI: 1S/C21H19ClN4O2.2ClH/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2;;/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27);2*1H
• SMILES isoméricas: CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl.Cl
• PubChem CID: 16219981
• Peso molecular: 394.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Indoles and derivatives Methylpyridines Benzenoids Aryl chlorides Heteroaromatic compounds Isoureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Indole or derivatives - Methylpyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Isourea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

Alvos associados (humanos)

HTR2A Tclin 5-hydroxytryptamine receptor 2A (0 Activities)

Discover Target: HTR2A

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

HTR2C Tclin 5-hydroxytryptamine receptor 2C (0 Activities)

Discover Target: HTR2C

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

HTR2B Tclin 5-hydroxytryptamine receptor 2B (0 Activities)

Discover Target: HTR2B

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

Propriedades químicas e físicas

• Peso molecular: 467.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 466.073 Da
• Monoisotopic Mass: 466.073 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 550.000
• 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: 3

XLogP3