A2793 - ≥98% , CAS No.88349-90-0

CAS: 88349-90-0 Cat. No.: A412435 Formule: C₁₃H₁₂ClNO₃ Poids moléculaire: 265.69 Numéro CE: 117-783-0

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

• ALogP: 2.72
• hba_count: 4
• Liaison rotative: 5

Noms et identifiants

• Pubchem Sid: 504769094
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769094
• Sourires canoniques: 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
• Isomères SMILES: CCOC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 53 mg/mL (199.48 mM); Ethanol: 25 mg/mL (94.09 mM); Water: Insoluble
• DMSO (mg/mL) Solubilité maximale: 53
• DMSO (mM) Solubilité maximale: 199.480597689036
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 88349-90-0, the molecular formula is C13H12ClNO3, and the molecular weight is 265.69 g/mol. InChIKey JEMXUSHXYOXNFL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.