LY 266097 hydrochloride - ≥99%(HPLC) , CAS No.172895-39-5

CAS: 172895-39-5 Cat. No.: L286624 Peso molecular: 407.33 Número EC: 687-194-6 PubChem CID: 9953184

GRADE & PURITY ≥99%(HPLC)

Synonyms

XGA89539 | LY 266097 hydrochloride | LY266097, >=98% (HPLC), powder | AKOS024457968 | HY-103094 | W9Q5A842YM | 1-(2-chloro-3,4-dimethoxybenzyl)-6-methyl-1,2,3,4-tetrahydro-9h-pyrido[3,4-b]indole hydrochloride | 1-[(2-Chloro-3,4-dimethoxyphenyl)methyl]-2,3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

XGA89539 | LY 266097 hydrochloride | LY266097, >=98% (HPLC), powder | AKOS024457968 | HY-103094 | W9Q5A842YM | 1-(2-chloro-3, 4-dimethoxybenzyl)-6-methyl-1, 2, 3, 4-tetrahydro-9h-pyrido[3, 4-b]indole hydrochloride | 1-[(2-Chloro-3, 4-dimethoxyphenyl)methyl]-2, 3

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Selective 5-HT2Breceptor antagonist (pKi= 9.3). More than 100-fold selective over 5-HT2Aand 5-HT2C. Attenuates amphetamine-induced locomotion in the rat.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Pureza

≥99%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488196468
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196468
• Sonrisas canónicas: CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=C(C(=C(C=C4)OC)OC)Cl.Cl
• IUPAC Name: 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
• InChIKey: KPXKZZURYAXZQE-UHFFFAOYSA-N
• INCHI: 1S/C21H23ClN2O2.ClH/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22;/h4-7,10,17,23-24H,8-9,11H2,1-3H3;1H
• Isómeros SMILES: CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=C(C(=C(C=C4)OC)OC)Cl.Cl
• PubChem CID: 9953184
• Peso molecular: 407.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Harmala alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Harmala alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Harmala alkaloids
• Alternative Parents: Beta carbolines 3-alkylindoles Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides Hydrochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Dimethoxybenzene - O-dimethoxybenzene - Indole - Indole or derivatives - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Aralkylamine - Chlorobenzene - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Secondary aliphatic amine - Secondary amine - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 40.73, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 40.73, Max Conc. mM: 100
• Peso molecular: 407.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 406.121 Da
• Monoisotopic Mass: 406.121 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 479.000
• 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: 2

XLogP3