Identification of N-acetyl(2,2-dichlorovinyl)- and N-acetyl(1,2-dichlorovinyl)-L-cysteine as two regioisomeric mercapturic acids of trichloroethylene in the rat

Chem Res Toxicol. 1990 May-Jun;3(3):212-8. doi: 10.1021/tx00015a005.

Abstract

The regioselectivity of glutathione conjugation to trichloroethylene (TRI) and the metabolism of its cysteine and N-acetyl-L-cysteine conjugates were investigated in the rat. Intraperitoneal (ip) administration of TRI to rats at a dose of 400 mg/kg resulted in excretion in urine of small amounts of the two distinct regioisomers N-acetyl-S-(1,2-dichlorovinyl)-L-cysteine (1,2-DCV-NAC) and N-acetyl-S-(2,2-dichlorovinyl)-L-cysteine (2,2-DCV-NAC). The vicinal (vic) isomer was excreted in a 2 times higher amount (16 nmol) than the geminal (gem) isomer (8 nmol). Intraperitoneal administration of a 1:1 mixture (2.5 mumol/kg each) of the two regioisomers of S-(dichlorovinyl)-L-cysteine (DCVC) to the rat resulted in excretion of the corresponding mercapturic acids in urine, the main fractions being excreted within 8 h after administration. The gem-dichlorovinyl isomer appeared to be acetylated to a higher extend than the 1,2-dichlorovinyl isomer; 73% vs 50% of the dose administered. Intraperitoneal administration of a 1:1 mixture (12.5 mumol/kg each) of the two regioisomers of N-(trideuterioacetyl)-S-(dichlorovinyl)-L-cysteine (DCV-NAC-d3) resulted in excretion of both deuterium-labeled and unlabeled mercapturic acids in urine. The vic isomer was excreted unchanged at a significantly higher percentage, 34% of dose (i.e., still deuterium labeled), than the gem isomer, 17% of the dose. This suggests less efficient metabolism of the vic isomer when compared to the gem isomer. Both regioisomers of DCV-NAC-d3 were excreted in urine unlabeled at 40% of the dose, which indicates that for both isomers deacetylation, followed by reacetylation (resulting in unlabeled DCV-NAC), is an important metabolic pathway.(ABSTRACT TRUNCATED AT 250 WORDS)

MeSH terms

  • Acetylation
  • Acetylcysteine / analogs & derivatives*
  • Acetylcysteine / chemical synthesis
  • Animals
  • Carbon Isotopes
  • Cysteine / analogs & derivatives
  • Cysteine / metabolism
  • Gas Chromatography-Mass Spectrometry
  • Isomerism
  • Kinetics
  • Magnetic Resonance Spectroscopy / methods
  • Male
  • Protons
  • Rats
  • Rats, Inbred Strains
  • Trichloroethylene / metabolism*

Substances

  • Carbon Isotopes
  • Protons
  • S-1,2-dichlorovinyl-N-acetylcysteine
  • N-acetyl-(2,2-dichlorovinyl)cysteine
  • Trichloroethylene
  • S-(1,2-dichlorovinyl)cysteine
  • Cysteine
  • Acetylcysteine