5-HT1A modulator 2 hydrochloride - ≥99% , CAS No.3880-76-0

CAS: 3880-76-0 Cat. No.: H649783 Peso molecular: 213.71 Número EC: 801-005-8 PubChem CID: 12924837

GRADE & PURITY ≥99%

Synonyms

8-methoxy-2-aminotetralin hydrochloride | 2-amino-8-methoxy-1,2,3,4-tetrahydronaphthalene hcl | 2-amino-8-methoxy-1,2,3,4-tetrahydronaphthalene hydrochloride | 8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride | AS-35946 | 8-methoxy-1,2,3,4-tet

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

5-HT1A modulator 2 hydrochloride, a derivative of 8-OH-DPAT , is a modulator of 5-HT 1A with a K i of 53 nM for 5-HT 1A binding

In Vitro

5-HT1A modulator 2 hydrochloride (compound 3) binds to 5-HT 1A with a K i of 53 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Ki: 53 nM (5-HT 1A )

Specifications

Sinónimos

8-methoxy-2-aminotetralin hydrochloride | 2-amino-8-methoxy-1, 2, 3, 4-tetrahydronaphthalene hcl | 2-amino-8-methoxy-1, 2, 3, 4-tetrahydronaphthalene hydrochloride | 8-methoxy-1, 2, 3, 4-tetrahydronaphthalen-2-amine;hydrochloride | AS-35946 | 8-methoxy-1, 2, 3, 4-tet

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

5-HT1A modulator 2 hydrochloride, a derivative of 8-OH-DPAT ( HY-112061 ), is a modulator of 5-HT 1A with a K i of 53 nM for 5-HT 1A binding.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

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

MODULATOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=CC2=C1CC(CC2)N.Cl
• IUPAC Name: 8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
• InChIKey: GDFOHXLSNDZEHH-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO.ClH/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11;/h2-4,9H,5-7,12H2,1H3;1H
• Isómeros SMILES: COC1=CC=CC2=C1CC(CC2)N.Cl
• PubChem CID: 12924837
• Peso molecular: 213.71

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 Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Ether - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Amine - 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: 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)

Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Candida parapsilosis (8521 Activities)

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Trichophyton rubrum (3646 Activities)

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Microsporum (209 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (467.95 mM; Need ultrasonic)
• Peso molecular: 213.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.092 Da
• Monoisotopic Mass: 213.092 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 171.000
• 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