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 分子式: C₁₃H₁₁Cl₂NaO₄ 分子量: 325.12 PubChem CID: 23668825

グレード＆純度 ≥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

概要

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.

仕様

同義語

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

仕様と純度

≥99%

生化学的・生理学的メカニズム

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.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

作用メカニズム

Sodium-(potassium)-chloride cotransporter 2 inhibitor

純度

≥99%

製品の性質

ALogP

2.489

回転可能な結合

6

名前と識別子

パブケム・シド

528764419

カノニカル・スマイル

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

異性体SMILES

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

PubChem CID

23668825

分子量

325.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: 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） 最大溶解度: 65
• DMSO（mM） 最大溶解度: 199.926181102362
• 水（mg / mL） 最大溶解度: 65
• 水（mM） 最大溶解度: 199.926181102362
• 分子量: 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