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

CAS: 88349-90-0 Cat. No.: A426674 Peso molecular: 265.69 Número EC: 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

Descripción general

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

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y 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.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Propiedades del producto

• ALogP: 2.72
• hba_count: 4
• Enlace rotable: 5

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 53
• DMSO (mM) Solubilidad máxima: 199.480597689036
• Agua (mg/ml) Solubilidad 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