AJ-76 HCL - Moligand™, ≥98% , Antagonist of D 3 receptor, CAS No.85378-82-1, Antagonist of D 3 receptor

CAS: 85378-82-1 Cat. No.: A337224 Fórmula: C₁₅H₂₃NO•HCl Peso molecular: 269.81

GRADE & PURITY Moligand™, ≥98%

Synonyms

SCHEMBL276252 | AJ76(+) | AJ76-(+) | 5-metoxi-1-metil-2-(n-propilamino)tetralina | (1S,2R)-(5-Metoxi-1-metil-1,2,3,4-tetrahidro-naftalen-2-il)-propil-amina | (1S,2R)-5-metoxi-1-metil-2-(propilamino)tetralina | (1S,2R)-5-metoxi-1-metil-N-propil-1,2

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

AJ-76 HCL es un antagonista selectivo de los autorreceptores dopaminérgicos, que muestra una reducción de la frecuencia de disparo ventral de las neuronas dopaminérgicas. Los estudios indican que AJ-76 HCL aumenta la síntesis de dopamina en el sistema nigroestriatal en neuronas con lesiones parciales. Se sabe que los efectos de AJ-76 HCL sobre los receptores dopaminérgicos son similares a los de la cocaína. Basándose en estas propiedades, este compuesto es esencial para estudiar los efectos de la cocaína sobre la liberación de dopamina de las neuronas.

Specifications

Sinónimos

SCHEMBL276252 | AJ76(+) | AJ76-(+) | 5-metoxi-1-metil-2-(n-propilamino)tetralina | (1S,2R)-(5-Metoxi-1-metil-1,2,3,4-tetrahidro-naftalen-2-il)-propil-amina | (1S,2R)-5-metoxi-1-metil-2-(propilamino)tetralina | (1S,2R)-5-metoxi-1-metil-N-propil-1,2

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of D 3 receptor

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

528763064

Sonrisas canónicas

CCCNC1CCC2=C(C1C)C=CC=C2OC.Cl

IUPAC Name

(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

InChIKey

KIRYNZFMOLYYQB-YECZQDJWSA-N

INCHI

1S/C15H23NO.ClH/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3;/h5-7,11,14,16H,4,8-10H2,1-3H3;1H/t11-,14+;/m0./s1

Isómeros SMILES

CCCN[C@@H]1CCC2=C([C@@H]1C)C=CC=C2OC.Cl

Peso molecular

269.81

Reaxy-Rn

13515057

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13515057&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Anisole - Alkyl aryl ether - Aralkylamine - Secondary aliphatic amine - Ether - Secondary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• External Descriptors: hydrochloride

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 (humanos)

CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)

Discover Target: CYP2D6

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

DRD2 Tclin D(2) dopamine receptor (1 Activities)

Discover Target: DRD2

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

DRD3 Tclin D(3) dopamine receptor (4 Activities)

Discover Target: DRD3

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

Propiedades químicas y físicas

• Solubilidad: Soluble in 50% aq. ethanol (20 mg/ml)
• Sensibilidad: Moisture sensitive
• Peso molecular: 269.810 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 269.155 Da
• Monoisotopic Mass: 269.155 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 231.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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