U 93631 - ≥98% , CAS No.152273-12-6

CAS: 152273-12-6 Cat. No.: U274849 Fórmula: C₁₇H₂₁N₃O₂ Peso molecular: 299.37 PubChem CID: 197626

GRADE & PURITY ≥98%

Synonyms

J-008908 | 4,5-Dihydro-4,4-dimethyl-imidazo[1,5-a]quinoxaline-3-carboxylic acid 1,1-dimethylethyl ester | U 93631 | AC-33651 | tert-butyl 4,4-dimethyl-5H-imidazo[1,5-a]quinoxaline-3-carboxylate | A16336 | CGA27312 | tert-butyl 4,4-dimethyl-4,5-dihydroimid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product description：
U93631 is a GABAA receptor ligand of novel chemical structure with IC50 of 100 nM,and has been shown to induce a rapid, time-dependent decay of GABA-induced whole-cell Cl-currents in recombinant GABAA receptors. 

Specifications

Sinónimos

J-008908 | 4,5-Dihydro-4,4-dimethyl-imidazo[1,5-a]quinoxaline-3-carboxylic acid 1,1-dimethylethyl ester | U 93631 | AC-33651 | tert-butyl 4,4-dimethyl-5H-imidazo[1,5-a]quinoxaline-3-carboxylate | A16336 | CGA27312 | tert-butyl 4,4-dimethyl-4,5-dihydroimid

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

GABA A antagonist that interacts with the picrotoxin site and stabilizes the GABA A receptor/Cl- channel complex in an inactivated state. Causes rapid decay of gamma-aminobutyric acid-induced chloride currents.

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.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757789
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757789
• Sonrisas canónicas: CC1(C2=C(N=CN2C3=CC=CC=C3N1)C(=O)OC(C)(C)C)C
• IUPAC Name: tert-butyl 4,4-dimethyl-5H-imidazo[1,5-a]quinoxaline-3-carboxylate
• InChIKey: NXBSEJKZKXIYMD-UHFFFAOYSA-N
• INCHI: 1S/C17H21N3O2/c1-16(2,3)22-15(21)13-14-17(4,5)19-11-8-6-7-9-12(11)20(14)10-18-13/h6-10,19H,1-5H3
• Isómeros SMILES: CC1(C2=C(N=CN2C3=CC=CC=C3N1)C(=O)OC(C)(C)C)C
• PubChem CID: 197626
• Peso molecular: 299.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Secondary alkylarylamines Carbonylimidazoles Aralkylamines N-substituted imidazoles Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Imidazole-4-carbonyl group - Secondary aliphatic/aromatic amine - Aralkylamine - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Secondary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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: Soluble in DMSO to 100 mM and in ethanol to 100 mM
• Peso molecular: 299.370 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 299.163 Da
• Monoisotopic Mass: 299.163 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 444.000
• 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