Etifoxine（HOE 36-801） - Moligand™, ≥95% , GABA-A receptor; anion channel antagonist, CAS No.21715-46-8, GABA-A receptor; anion channel antagonist

CAS: 21715-46-8 Cat. No.: E125860 Peso molecular: 300.78 Número EC: 630-330-6 PubChem CID: 135413553

GRADE & PURITY Moligand™, ≥95%

Synonyms

MRF-0000029 | Etifoxine [INN:BAN:DCF] | SR-01000945088-1 | BRN 0548223 | Etifoxin | UNII-X24X82MX4X | Etifoxinum [INN-Latin] | HOE 36801 | HOE 36-801 | Etifoxine | 6-Chloro-N-ethyl-4-methyl-4-phenyl-4H-benzo[d][1,3]oxazin-2-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MRF-0000029 | Etifoxine [INN:BAN:DCF] | SR-01000945088-1 | BRN 0548223 | Etifoxin | UNII-X24X82MX4X | Etifoxinum [INN-Latin] | HOE 36801 | HOE 36-801 | Etifoxine | 6-Chloro-N-ethyl-4-methyl-4-phenyl-4H-benzo[d][1, 3]oxazin-2-amine

Especificaciones y pureza

Moligand™, ≥95%

Mecanismos bioquímicos y fisiológicos

Etifoxine is potentiator of GABAA receptor function in cultured neurons. Etifoxine preferentially acts on β2 or β3 subunit-containing GABAA receptors. Etifoxine exhibits anxiolytic activity in rodents and humans with no sedative

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.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

GABA-A receptor; anion channel antagonist

Pureza

≥95%

Propiedades del producto

• ALogP: 4.1

Nombres e identificadores

• Sonrisas canónicas: CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3
• IUPAC Name: 6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine
• InChIKey: IBYCYJFUEJQSMK-UHFFFAOYSA-N
• INCHI: 1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)
• Isómeros SMILES: CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3
• PubChem CID: 135413553
• Peso molecular: 300.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazines
• Alternative Parents: Benzene and substituted derivatives Aryl chlorides Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Isourea - Oxacycle - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
• 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 (humanos)

Caco-2 (12174 Activities)

Explore this target

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Gabrp GABA-A receptor; anion channel (5731 Activities)

Discover Target: Gabrp

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO
• Peso molecular: 300.800 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 300.103 Da
• Monoisotopic Mass: 300.103 Da
• Topological Polar Surface Area: 33.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 394.000
• 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: 1