Ethacrynic Acid Mercapturate (Mixture of diastereomers)

CAS: 54546-23-5

Ref. TR-E676020

Produktinformation

• Name: Ethacrynic Acid Mercapturate (Mixture of diastereomers)
• Synonyme: N-Acetyl-S-[2-[4-(carboxymethoxy)-2,3-dichlorobenzoyl]butyl]-L-cysteine
• Marke: TRC

Beschreibung

Stability Hygroscopic
Applications A metabolite of Ethacrynic Acid (E676000) that is an inhibitor of sodium-potassium-dichloride cotransport and bumetanide binding. Also an inhibitor of human hepatic glutathione S-transferase isozymes.
References Palfrey, H. et al.: Am. J. Physiol., 264, C1270 (1993); Klaassen, C.D. et al.: J. Pharmacol. Exp. Therap., 191, 548(1974); Takamatsu, Y. et al.: Toxicol. Lett., 62, 241 (1992);

Chemische Eigenschaften

• Molekulargewicht: 466.33
• Formel: C₁₈H₂₁Cl₂NO₇S
• Farbe/Form: Neat
• InChl: InChI=1S/C18H21Cl2NO7S/c1-3-10(7-29-8-12(18(26)27)21-9(2)22)17(25)11-4-5-13(16(20)15(11)19)28-6-14(23)24/h4-5,10,12H,3,6-8H2,1-2H3,(H,21,22)(H,23,24)(H,26,27)/t10?,12-/m0/s1
• InChI Key: InChIKey=FFUBZDLDJQLBLZ-TVKKRMFBSA-N
• SMILES: CCC(CSC[C@@H](NC(C)=O)C(=O)O)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl