Ethacrynate Sodium - 10mM in DMSO , Sodium-(potassium)-chloride cotransporter 2 inhibitor, CAS No.6500-81-8, Sodium-(potassium)-chloride cotransporter 2 inhibitor

CAS: 6500-81-8 Cat. No.: E425293 Molecular Weight: 325.12 PubChem CID: 23668825

GRADE & PURITY 10mM in DMSO

Synonyms

ETHACRYNATE SODIUM|Sodium ethacrynate|6500-81-8|Edecrin Sodium|Ethacrynic acid sodium|Sodium edecrin|Etacrynate sodium|UNII-K41MYV7MPM|K41MYV7MPM|ethacrynic acid sodium salt|Ethacrynate sodium [USAN:USP]|Sodium (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Ethacrynate Sodium (ethacrynic acid sodium) is the sodium salt form of ethacrynic acid, which inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules.

Specifications

Synonyms

ETHACRYNATE SODIUM | Sodium ethacrynate | 6500-81-8 | Edecrin Sodium | Ethacrynic acid sodium | Sodium edecrin | Etacrynate sodium | UNII-K41MYV7MPM | K41MYV7MPM | ethacrynic acid sodium salt | Ethacrynate sodium [USAN:USP] | Sodium (2, 3-dichloro-4-(2-methylenebutyryl)phenoxy)

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Ethacrynate Sodium (ethacrynic acid sodium) is the sodium salt form of ethacrynic acid, which inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Sodium-(potassium)-chloride cotransporter 2 inhibitor

Product Properties

• ALogP: 2.489
• Rotatable Bond: 6

Names and Identifiers

• Canonical Smiles: CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl.[Na+]
• IUPAC Name: sodium;2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate
• InChIKey: CWCSCNSKBSCYCS-UHFFFAOYSA-M
• INCHI: 1S/C13H12Cl2O4.Na/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17;/h4-5H,2-3,6H2,1H3,(H,16,17);/q;+1/p-1
• Isomeric SMILES: CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl.[Na+]
• PubChem CID: 23668825
• Molecular Weight: 325.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Butyrophenones Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Acryloyl compounds Vinylogous halides Enones Carboxylic acid salts Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organic oxides Organic sodium salts Organochlorides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Butyrophenone - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Benzoyl - Aryl ketone - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Vinylogous halide - Enone - Alpha,beta-unsaturated ketone - Carboxylic acid salt - Ketone - Organic metal halide - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 65
• DMSO(mM) Max Solubility: 199.926181102362
• Water(mg / mL) Max Solubility: 65
• Water(mM) Max Solubility: 199.926181102362
• Molecular Weight: 325.120 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 323.993 Da
• Monoisotopic Mass: 323.993 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 375.000
• 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: 2

XLogP3