[¹⁸F]fluoroethylflumazenil - Moligand™ , Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α4 subunit;Allosteric, Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α4 subunit;Allosteric modulator of GABA A receptor α5 subunit;

CAS: F614015 Cat. No.: F614015 PubChem CID: 126761

GRADE & PURITY Moligand™

Synonyms

Fluoroethylflumazenil F-18 | DTXSID80162498 | 3N422P20J8 | SCHEMBL11940819 | UNII-3N422P20J8 | GTPL4368 | ethyl 8-fluoro-5-(2-fluoroethyl)-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | [18F]fluoroethylflumazenil | (18F)Fluoroethylflumazenil |

Storage

Room temperature

Specifications

Synonyms

Fluoroethylflumazenil F-18 | DTXSID80162498 | 3N422P20J8 | SCHEMBL11940819 | UNII-3N422P20J8 | GTPL4368 | ethyl 8-fluoro-5-(2-fluoroethyl)-6-oxo-4H-imidazo[1, 5-a][1, 4]benzodiazepine-3-carboxylate | [18F]fluoroethylflumazenil | (18F)Fluoroethylflumazenil |

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α4 subunit;Allosteric modulator of GABA A receptor α5 subunit;

Names and Identifiers

• Canonical Smiles: [18F]CCN1Cc2c(ncn2c2c(C1=O)cc(F)cc2)C(=O)OCC
• IUPAC Name: ethyl 8-fluoro-5-(2-fluoroethyl)-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
• InChIKey: NRBIGDVWCXXFLI-SJPDSGJFSA-N
• INCHI: 1S/C16H15F2N3O3/c1-2-24-16(23)14-13-8-20(6-5-17)15(22)11-7-10(18)3-4-12(11)21(13)9-19-14/h3-4,7,9H,2,5-6,8H2,1H3/i17-1
• Isomeric SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)CC[18F]
• PubChem CID: 126761

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazo[1,5-a][1,4]benzodiazepines
• Alternative Parents: 1,4-diazepines Carbonylimidazoles Aryl fluorides Benzenoids N-substituted imidazoles Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organofluorides Organonitrogen compounds Organooxygen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,5-a][1,4]benzodiazepine - Para-diazepine - Imidazole-4-carbonyl group - Aryl fluoride - Aryl halide - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organofluoride - Organic oxide - Organonitrogen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazo[1,5-a][1,4]benzodiazepines. These are compounds containing an imidazole ring and a 1,4-benzodiazepine ring system, both sharing 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

Associated Targets(Human)

GABRA1 Tclin Gamma-aminobutyric acid receptor subunit alpha-1 (0 Activities)

Discover Target: GABRA1

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GABRA3 Tclin Gamma-aminobutyric acid receptor subunit alpha-3 (0 Activities)

Discover Target: GABRA3

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GABRA4 Tclin Gamma-aminobutyric acid receptor subunit alpha-4 (0 Activities)

Discover Target: GABRA4

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GABRA5 Tclin Gamma-aminobutyric acid receptor subunit alpha-5 (0 Activities)

Discover Target: GABRA5

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GABRA2 Tclin Gamma-aminobutyric acid receptor subunit alpha-2 (0 Activities)

Discover Target: GABRA2

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GABRA6 Tclin Gamma-aminobutyric acid receptor subunit alpha-6 (0 Activities)

Discover Target: GABRA6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)