BGC 20-761 - Moligand™, ≥98%(HPLC) , Antagonist of 5-HT 1A receptor;Antagonist of 5-HT 1D receptor;Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 5A receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor, CA, Antagonist of 5-HT 1A receptor;Antagonist of 5-HT 1D receptor;Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 5A receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor

CAS: 17375-63-2 Cat. No.: B288458 Formule: C₁₉H₂₂N₂O Poids moléculaire: 294.39

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

[2-(5-Methoxy-2-phenyl-1H-indol-3-yl)-ethyl]-dimethyl-amine | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)-ethyl]-dimethyl-amine (C2H2O4) | AKOS024457555 | J-010941 | UNII-6G5F6ESV5I | MPDT | 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine | HY-21995

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

[2-(5-Methoxy-2-phenyl-1H-indol-3-yl)-ethyl]-dimethyl-amine | [2-(5-Methoxy-2-phenyl-1H-indol-3-yl)-ethyl]-dimethyl-amine (C2H2O4) | AKOS024457555 | J-010941 | UNII-6G5F6ESV5I | MPDT | 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine | HY-21995

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Selective, high affinity 5-HT6antagonist (Ki= 20 nM). Reverses the amnesic effects ofscopolamine and enhances memory consolidation in a rat model.

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of 5-HT 1A receptor;Antagonist of 5-HT 1D receptor;Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 5A receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor

Pureté

≥98%(HPLC)

Noms et identifiants

• Sourires canoniques: CN(C)CCC1=C(NC2=C1C=C(C=C2)OC)C3=CC=CC=C3
• IUPAC Name: 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
• InChIKey: VSGPGYWZVPDDSK-UHFFFAOYSA-N
• INCHI: 1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
• Isomères SMILES: CN(C)CCC1=C(NC2=C1C=C(C=C2)OC)C3=CC=CC=C3
• Poids moléculaire: 294.39
• Reaxy-Rn: 428222
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=428222&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Tryptamines and derivatives Phenylpyrroles 3-alkylindoles Anisoles Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylindole - Tryptamine - 2-phenylpyrrole - 3-alkylindole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.
• 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

Cibles associées (humaines)

HTR5A Tchem 5-hydroxytryptamine receptor 5A (1 Activities)

Discover Target: HTR5A

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

HTR2A Tclin 5-hydroxytryptamine receptor 2A (1 Activities)

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HTR7 Tclin 5-hydroxytryptamine receptor 7 (1 Activities)

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HTR1D Tclin 5-hydroxytryptamine receptor 1D (1 Activities)

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

HTR2C Tclin 5-hydroxytryptamine receptor 2C (1 Activities)

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HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)

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HTR6 Tchem 5-hydroxytryptamine receptor 6 (8 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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

SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HTR1D Tclin Serotonin 1d (5-HT1d) receptor (2897 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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HTR1E Tchem Serotonin 1e (5-HT1e) receptor (696 Activities)

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HTR5A Tchem Serotonin 5a (5-HT5a) receptor (1433 Activities)

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Cibles associées (non humaines)

Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 29.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 14.72, Max Conc. mM: 50
• Poids moléculaire: 294.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 294.173 Da
• Monoisotopic Mass: 294.173 Da
• Topological Polar Surface Area: 28.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 340.000
• 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: 1