Pruvanserin , Serotonin 2a (5-HT2a) receptor antagonist, CAS No.443144-26-1, Serotonin 2a (5-HT2a) receptor antagonist

CAS: 443144-26-1 Cat. No.: P668964 Formula: C₂₂H₂₁FN₄O Peso molecolare: 376.4 PubChem CID: 6433122

Synonyms

Pruvanserin | LSN2422347 | UL09X1D9EM | LY2420586 | LY-2422347 FREE BASE | 1H-Indole-3-carbonitrile, 7-[[4-[2-(4-fluorophenyl)ethyl]-1-piperazinyl]carbonyl]- | EMD 390920 | EMD-390920 | LSN-2422347 | LY2422347 | LY-2420586 | LY-2422347 | EMD-281014 | 7-(4

Storage

Room temperature

Specifications

Sinonimi

Pruvanserin | LSN2422347 | UL09X1D9EM | LY2420586 | LY-2422347 FREE BASE | 1H-Indole-3-carbonitrile, 7-[[4-[2-(4-fluorophenyl)ethyl]-1-piperazinyl]carbonyl]- | EMD 390920 | EMD-390920 | LSN-2422347 | LY2422347 | LY-2420586 | LY-2422347 | EMD-281014 | 7-(4

Condizioni di conservazione di stoccaggio

Room temperature

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Serotonin 2a (5-HT2a) receptor antagonist

Proprietà del prodotto

• ALogP: 3.1

Nomi e identificatori

• Sorrisi canonici: C1CN(CCN1CCC2=CC=C(C=C2)F)C(=O)C3=CC=CC4=C3NC=C4C#N
• IUPAC Name: 7-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
• InChIKey: AQRLDDAFYYAIJP-UHFFFAOYSA-N
• INCHI: 1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2
• Isomeri SMILES: C1CN(CCN1CCC2=CC=C(C=C2)F)C(=O)C3=CC=CC4=C3NC=C4C#N
• PubChem CID: 6433122
• Peso molecolare: 376.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Indoles Phenethylamines Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl fluorides Substituted pyrroles Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Nitriles Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - Indole - Phenethylamine - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Substituted pyrrole - Benzenoid - Pyrrole - Vinylogous amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Cyanide - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• 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

Obiettivi associati (umani)

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

Discover Target: HTR2A

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

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

Discover Target: HTR2A

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

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

Discover Target: HTR2C

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 376.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 376.17 Da
• Monoisotopic Mass: 376.17 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 589.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 443144-26-1, the molecular formula is C22H21FN4O, and the molecular weight is 376.4 g/mol. InChIKey AQRLDDAFYYAIJP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.