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 분자식: C₁₈H₁₄N₄O₃ 분자량: 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

개요

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

동의어

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]

사양 및 순도

Moligand™,≥99%

생화학 및 생리적 메커니즘

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.

보관 조건

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

배송

Wet ice

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등급

Moligand™

작업 유형

INVERSE AGONIST

작동 메커니즘

GABA-A receptor; anion channel inverse agonist

순수함

≥99%

제품 특성

ALogP

2.2

이름과 식별자

정식 스마일

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)

이성체 SMILES

CC1=NC(=NO1)C2=CC3=C(C=CN=C3C4=CC(=CC=C4)OC)NC2=O

대체 CAS

219846-31-8

PubChem CID

135418404

MeSH 용어

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

분자량

334.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO : 10 mg/mL (29.91 mM; ultrasonic and warming and heat to 60°C)
• 감도: light sensitive; Hygroscopic
• 분자량: 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