Ethacrynate Sodium - ≥99% , Sodium-(potassium)-chloride cotransporter 2 inhibitor, CAS No.6500-81-8, Sodium-(potassium)-chloride cotransporter 2 inhibitor

CAS: 6500-81-8 Cat. No.: E413347 Formule: C₁₃H₁₁Cl₂NaO₄ Poids moléculaire: 325.12 PubChem CID: 23668825

QUALITÉ & PURETÉ ≥99%

Synonyms

Ethacrynic Sodium | MLS000859969 | Q27281933 | ETHACRYNATE SODIUM | Sodium (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)acetate | SODIUM ETACRYNATE (MART.) | Sodium ethacrynate | Sodium [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]acetate | ETHACRYNIC ACID

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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.

Spécifications

Synonymes

Ethacrynic Sodium | MLS000859969 | Q27281933 | ETHACRYNATE SODIUM | Sodium (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)acetate | SODIUM ETACRYNATE (MART.) | Sodium ethacrynate | Sodium [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]acetate | ETHACRYNIC ACID

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

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.

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.

Type d'action

INHIBITOR

Mécanisme d'action

Sodium-(potassium)-chloride cotransporter 2 inhibitor

Pureté

≥99%

Propriétés du produit

ALogP

2.489

Liaison rotative

6

Noms et identifiants

Pubchem Sid

528764419

Sourires canoniques

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

Isomères SMILES

CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl.[Na+]

PubChem CID

23668825

Poids moléculaire

325.12

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: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 65 mg/mL (199.92 mM); Water: 65 mg/mL (199.92 mM); Ethanol: 10 mg/mL (30.75 mM)
• DMSO (mg/mL) Solubilité maximale: 65
• DMSO (mM) Solubilité maximale: 199.926181102362
• Eau (mg/mL) Solubilité maximale: 65
• Eau (mM) Solubilité maximale: 199.926181102362
• Poids moléculaire: 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