Clorhidrato de xaliproden - ≥98% , CAS No.90494-79-4

CAS: 90494-79-4 Cat. No.: X288237 Peso molecular: 417.89 Número EC: 635-870-6 PubChem CID: 128918

GRADE & PURITY ≥98%

Synonyms

NCGC00167574-01 | Xaliproden hydrochloride (JAN) | MS-27295 | Tox21_112567_1 | 1-[2-(2-naphthyl)ethyl]-4-(3-trifluoromethylphenyl)-1,2,3,6-tetrahydropyridine hydrochloride | 90494-79-4 (HCl) | Q27258737 | FT-0642171 | 7-Chloro-5-(2-fluorophenyl)-1-methyl-

Storage

Conservar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Descripción general

El hidrocloruro de xaliprodeno (SR57746A) es un agonista potente, selectivo y activo por vía oral del receptor 5-HT1A, muestra una alta afinidad por los sitios de unión específicos del 5-HT1A en el hipocampo de rata (IC50=3 nM). El hidrocloruro de xaliproden también es un antagonista selectivo del receptor D2 de la dopamina, tiene una afinidad moderada (IC50=0,1-1 μM). El clorhidrato de xaliproden presenta efectos antidepresivos y ansiolíticos, y puede poseer potencial terapéutico para la investigación de enfermedades neurodegenerativas

Specifications

Sinónimos

NCGC00167574-01 | Xaliproden hydrochloride (JAN) | MS-27295 | Tox21_112567_1 | 1-[2-(2-naphthyl)ethyl]-4-(3-trifluoromethylphenyl)-1, 2, 3, 6-tetrahydropyridine hydrochloride | 90494-79-4 (HCl) | Q27258737 | FT-0642171 | 7-Chloro-5-(2-fluorophenyl)-1-methyl-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Agonista completo de los receptores 5-HT1A, activo por vía oral. Se une a los receptores 5-HT1A de rata con gran afinidad (Ki= 2, 0 nM) y es > 300 veces selectivo respecto a otros subtipos de receptores 5-HT (IC50> 650 nM). Aumenta la supervivencia de las

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C, Desecado

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3.Cl
• IUPAC Name: 1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
• InChIKey: WVHBEIJGAINUBW-UHFFFAOYSA-N
• INCHI: 1S/C24H22F3N.ClH/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18;/h1-9,11,16-17H,10,12-15H2;1H
• Isómeros SMILES: C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3.Cl
• WGK Alemania: 3
• RTECS: UT8405666
• PubChem CID: 128918
• Peso molecular: 417.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Trifluoromethylbenzenes Phenethylamines Aralkylamines Hydropyridines Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Trifluoromethylbenzene - Phenethylamine - Aralkylamine - Monocyclic benzene moiety - Hydropyridine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 41.79, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.36, Max Conc. mM: 20
• Sensibilidad: Moisture sensitive
• Peso molecular: 417.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 417.147 Da
• Monoisotopic Mass: 417.147 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 540.000
• 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