Toxicokinetics and Metabolism of 3-Monochloropropane 1,2-Diol Dipalmitate in Sprague Dawley Rats

J Agric Food Chem. 2018 Nov 7;66(44):11672-11680. doi: 10.1021/acs.jafc.8b05422. Epub 2018 Oct 25.

Abstract

Fatty acid esters of 3-monochloropropane 1,2-diol (3-MCPD) are a group of processing-induced toxicants. To better clarify their possible toxicological effects and mechanisms, it is important to investigate their absorption, distribution, metabolism, and excretion. In this study, the kinetic parameters of 3-MCPD dipalmitate in Sprague Dawley (SD) rat plasma were determined using ultraperformance liquid chromatography-triple quadrupole mass spectrometry. 3-MCPD dipalmitate was absorbed in rats with a Cmax of 135.00 ng/mL, a T1/2 of 3.87 h, a Tmax of 2.5 h, an MRT of 5.08 h, a CL of 3.50 L/h/g, a Vd of 21.34 L/g, and an AUC0-∞ of 458.47 h·ng/mL. A total of 17 metabolites were identified, and 16 of them were reported for the first time. Furthermore, these metabolites were examined for their presences in the liver, kidney, testis, brain, spleen, thymus, intestine, plasma, feces, and urine samples 2, 6, 12, 24, and 48 h after oral administration of 3-MCPD dipalmitate using Metabolynx software.

Keywords: 3-MCPD dipalmitate; UPLC-MS; absorption, distribution, metabolism, and excretion (ADME); toxicokinetics.

MeSH terms

  • Animals
  • Kidney / chemistry
  • Kidney / drug effects
  • Kidney / metabolism
  • Liver / chemistry
  • Liver / drug effects
  • Liver / metabolism
  • Male
  • Rats
  • Rats, Sprague-Dawley
  • Spleen / chemistry
  • Spleen / drug effects
  • Spleen / metabolism
  • Tandem Mass Spectrometry
  • Toxicokinetics
  • alpha-Chlorohydrin / chemistry
  • alpha-Chlorohydrin / metabolism*
  • alpha-Chlorohydrin / toxicity*

Substances

  • alpha-Chlorohydrin