Radequinil - Moligand™,≥99% , GABA-A receptor; anion channel inverse agonist, CAS No.219846-31-8, GABA-A receptor; anion channel inverse agonist

CAS: 219846-31-8 Cat. No.: R647894 Peso molecular: 334.33 PubChem CID: 135418404

GRADE & PURITY Moligand™, ≥99%

Synonyms

MS-25042 | SX-3933 | Q7280124 | Resequinil [INN] | 5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-1,2-dihydro-1,6-naphthyridine | AC 3933 | AKOS040742532 | AVE-3933 | JQOFKKWHXGQABB-UHFFFAOYSA-N | HY-106025 | DTXSID60944577 | Radequinil [INN]

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Descripción general

Radequinil (AC-3933) is a benzodiazepine receptor (BzR) partial inverse agonist. AC-3933 binds to GABA(-) and GABA(+) ligand with K i s of 5.15 and 6.11 nM, respectively

Form:Solid

IC50& Target:Ki: 5.15±0.39 nM (GABA(-) ligand), 6.11±0.26 nM (GABA(+) ligand)

Specifications

Sinónimos

MS-25042 | SX-3933 | Q7280124 | Resequinil [INN] | 5-(3-methoxyphenyl)-3-(5-methyl-1, 2, 4-oxadiazol-3-yl)-2-oxo-1, 2-dihydro-1, 6-naphthyridine | AC 3933 | AKOS040742532 | AVE-3933 | JQOFKKWHXGQABB-UHFFFAOYSA-N | HY-106025 | DTXSID60944577 | Radequinil [INN]

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Radequinil (AC-3933) is a benzodiazepine receptor (BzR) partial inverse agonist. AC-3933 binds to GABA(-) and GABA(+) ligand with K i s of 5.15 and 6.11 nM, respectively.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

INVERSE AGONIST

Mecanismo de acción

GABA-A receptor; anion channel inverse agonist

Pureza

≥99%

Propiedades del producto

• ALogP: 2.2

Nombres e identificadores

• Sonrisas canónicas: CC1=NC(=NO1)C2=CC3=C(C=CN=C3C4=CC(=CC=C4)OC)NC2=O
• IUPAC Name: 5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-1,6-naphthyridin-2-one
• InChIKey: JQOFKKWHXGQABB-UHFFFAOYSA-N
• INCHI: 1S/C18H14N4O3/c1-10-20-17(22-25-10)14-9-13-15(21-18(14)23)6-7-19-16(13)11-4-3-5-12(8-11)24-2/h3-9H,1-2H3,(H,21,23)
• Isómeros SMILES: CC1=NC(=NO1)C2=CC3=C(C=CN=C3C4=CC(=CC=C4)OC)NC2=O
• CAS alternativo: 219846-31-8
• PubChem CID: 135418404
• Términos de entrada MeSH: 5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-1,2-dihydro-1,6-naphthyridine;AC 3933;AC-3933;AC3933
• Peso molecular: 334.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Naphthyridines Phenoxy compounds Methoxybenzenes Anisoles Pyridinones Alkyl aryl ethers Heteroaromatic compounds 1,2,4-oxadiazoles Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - Naphthyridine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Benzenoid - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Lactam - Oxacycle - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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: DMSO : 10 mg/mL (29.91 mM; ultrasonic and warming and heat to 60°C)
• Sensibilidad: light sensitive; Hygroscopic
• Peso molecular: 334.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 334.107 Da
• Monoisotopic Mass: 334.107 Da
• Topological Polar Surface Area: 90.100 Ų
• Heavy Atom Count: 25
• 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: 1