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 분자식: C₁₃H₁₁Cl₂NaO₄ 분자량: 325.12 PubChem CID: 23668825

GRADE & PURITY ≥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

개요

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

동의어

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

작동 메커니즘

Sodium-(potassium)-chloride cotransporter 2 inhibitor

순수함

≥99%

제품 특성

• ALogP: 2.489
• 회전 가능한 결합: 6

이름과 식별자

• Pubchem Sid: 528764419
• 정식 스마일: 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
• 이성체 SMILES: CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl.[Na+]
• PubChem CID: 23668825
• 분자량: 325.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: 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) 최대 용해도: 65
• DMSO(mM) 최대 용해도: 199.926181102362
• 물(mg/mL) 최대 용해도: 65
• 물(mM) 최대 용해도: 199.926181102362
• 분자량: 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