LY 334370 hydrochloride - ≥99%(HPLC) , CAS No.199673-74-0

CAS: 199673-74-0 Cat. No.: L288339 Peso molecular: 387.88 Número EC: 695-535-5 PubChem CID: 19710026

GRADE & PURITY ≥99%(HPLC)

Synonyms

4-fluoro-n-(3-(1-methyl-4-piperidinyl)-1h-indol-5-yl)benzamide hcl | LY 334370 HCl | SCHEMBL8604274 | 4-FLUORO-N-(3-(1-METHYLPIPERIDIN-4-YL)-1H-INDOL-5-YL)BENAZMIDE HYDROCHLORIDE | 4-fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]benzamidehydrochlorid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4-fluoro-n-(3-(1-methyl-4-piperidinyl)-1h-indol-5-yl)benzamide hcl | LY 334370 HCl | SCHEMBL8604274 | 4-FLUORO-N-(3-(1-METHYLPIPERIDIN-4-YL)-1H-INDOL-5-YL)BENAZMIDE HYDROCHLORIDE | 4-fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]benzamidehydrochlorid

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Selective 5-HT1Freceptor agonist (Kivalues are 1.87, 16.4, > 100 (IC50), 176, 189, 281, 1280, 1530, 1550, > 3000 (IC50) and 3250 nM for 5-HT1F, 5-HT1A, 5-HT4, 5-HT1E, 5-HT1B, 5-HT1D, 5-HT2B, 5-HT2A, 5-HT7, 5-HT6and 5-HT2Creceptors respectively). Displays

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F.Cl
• IUPAC Name: 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide;hydrochloride
• InChIKey: DGPDGAPZTPSHBL-UHFFFAOYSA-N
• INCHI: 1S/C21H22FN3O.ClH/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15;/h2-7,12-14,23H,8-11H2,1H3,(H,24,26);1H
• Isómeros SMILES: CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F.Cl
• PubChem CID: 19710026
• Peso molecular: 387.88

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Aralkylamines Fluorobenzenes Substituted pyrroles Piperidines Aryl fluorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Aralkylamine - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Piperidine - Substituted pyrrole - Aryl fluoride - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrochloride - Organohalogen compound - Organofluoride - Amine - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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: Solvent:water, Max Conc. mg/mL: 9.7, Max Conc. mM: 25 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 9.7, Max Conc. mM: 25 with gentle warming
• Peso molecular: 387.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 387.151 Da
• Monoisotopic Mass: 387.151 Da
• Topological Polar Surface Area: 48.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 486.000
• 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

XLogP3