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 Summenformel: C₁₈H₁₄N₄O₃ Molekulargewicht: 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

Übersicht

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

Synonyme

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]

Spezifikationen & Reinheit

Moligand™,≥99%

Biochemische und physiologische Mechanismen

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.

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INVERSE AGONIST

Mechanismus der Wirkung

GABA-A receptor; anion channel inverse agonist

Reinheit

≥99%

Produkteigenschaften

• ALogP: 2.2

Namen und Kennungen

• Kanonisches Lächeln: 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)
• Isomere SMILES: CC1=NC(=NO1)C2=CC3=C(C=CN=C3C4=CC(=CC=C4)OC)NC2=O
• Alternative CAS-Nummer: 219846-31-8
• PubChem CID: 135418404
• MeSH-Eintrag: 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
• Molekulargewicht: 334.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 10 mg/mL (29.91 mM; ultrasonic and warming and heat to 60°C)
• Empfindlichkeit: light sensitive; Hygroscopic
• Molekulargewicht: 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