A2793 - 10mM in DMSO , CAS No.88349-90-0

CAS: 88349-90-0 Cat. No.: A426674 Fórmula: C₁₃H₁₂ClNO₃ Peso molecular: 265.69 Número CE: 117-783-0

GRADE & PURITY 10mM in DMSO

Synonyms

ethyl 2-[(5-chloroquinolin-8-yl)oxy]acetate | Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, ethyl ester | DTXSID40620302 | A2793 | Ethyl 2-((5-chloroquinolin-8-yl)oxy)acetate | ethyl 2-(5-chloroquinolin-8-yl)oxyacetate | EN300-54320 | SCHEMBL342559 | E78249

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

A2793 A2793 (Ethyl [(5-Chloroquinolin-8-yl)oxy]acetate) is an efficient inhibitor of TWIK-related spinal cord potassium channel (TRESK, K2P18, KCNK18) and TASK-1 (KCNK3) with IC50 of 6.8 μM for mouse TRESK.

Targets

mTRESK (Cell-free assay) 6.8 μM

Specifications

Sinónimos

ethyl 2-[(5-chloroquinolin-8-yl)oxy]acetate | Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, ethyl ester | DTXSID40620302 | A2793 | Ethyl 2-((5-chloroquinolin-8-yl)oxy)acetate | ethyl 2-(5-chloroquinolin-8-yl)oxyacetate | EN300-54320 | SCHEMBL342559 | E78249

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

A2793 (Ethyl [(5-Chloroquinolin-8-yl)oxy]acetate) is an efficient inhibitor of TWIK-related spinal cord potassium channel (TRESK, K2P18, KCNK18) and TASK-1 (KCNK3) with IC50 of 6.8 μM for mouse TRESK.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Propriedades do produto

• ALogP: 2.72
• hba_count: 4
• Ligação rotativa: 5

Nomes e identificadores

• Pubchem Sid: 528762996
• Sorrisos canónicos: CCOC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2
• IUPAC Name: ethyl 2-(5-chloroquinolin-8-yl)oxyacetate
• InChIKey: JEMXUSHXYOXNFL-UHFFFAOYSA-N
• INCHI: 1S/C13H12ClNO3/c1-2-17-12(16)8-18-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7H,2,8H2,1H3
• SMILES isoméricas: CCOC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2
• Peso molecular: 265.69
• Reaxy-Rn: 11678068
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11678068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Chloroquinolines Phenol ethers Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Phenoxyacetate - Chloroquinoline - Quinoline - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 53
• DMSO (mM) Solubilidade máxima: 199.480597689036
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 265.690 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 265.051 Da
• Monoisotopic Mass: 265.051 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 287.000
• 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