An NMR study of the metabolic fate of 2-, 3- and 4-fluorobenzyl alcohols in the rat: detection of N-acetylcysteinyl conjugates as minor metabolites in urine.

doi:10.1016/S0731-7085(03)00049-9

Paper

An NMR study of the metabolic fate of 2-, 3- and 4-fluorobenzyl alcohols in the rat: detection of N-acetylcysteinyl conjugates as minor metabolites in urine.

Published Apr 1, 2003 · C. Blackledge, J. Nicholson, I. Wilson

Journal of pharmaceutical and biomedical analysis

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Abstract

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Non-RCT

Animal Study

Study Snapshot

In rats, 2-, 3-, and 4-fluorobenzyl alcohols are mainly metabolized into glycine conjugates of benzoic acids, with minor N-acetylcysteinyl conjugates also present in urine.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

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Paper

An NMR study of the metabolic fate of 2-, 3- and 4-fluorobenzyl alcohols in the rat: detection of N-acetylcysteinyl conjugates as minor metabolites in urine.

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References

Handbook of Drug Metabolism

This Handbook of Drug Metabolism provides a comprehensive overview of drug metabolism, pharmacogenetics, and related technologies for drug discovery and development.

Quantitative structure-metabolism relationships for substituted benzoic acids in the rabbit: prediction of urinary excretion of glycine and glucuronide conjugates.

Molecular physicochemical properties of substituted benzoic acids can predict their dominant metabolic fate in rabbits, offering new insights into drug metabolism and molecular recognition events.

Prediction of urinary sulphate and glucuronide conjugate excretion for substituted phenols in the rat using quantitative structure-metabolism relationships.

Using quantitative structure-metabolism relationships, we can predict urinary sulphate and glucuronide conjugate excretion for substituted phenols in rats, aiding in xenobiotic exposure assessment.

Quantitative structure-metabolism relationships for substituted benzoic acids in the rat. Computational chemistry, NMR spectroscopy and pattern recognition studies.

Substituted benzoic acids in rats undergo mainly glucuronidation or glycine conjugation, with compounds 1, 2, 3, 4, 5, 7, 12, 13, and 14 primarily forming ester glucuronides.

Studies on benzyl acetate. II. Use of specific metabolic inhibitors to define the pathway leading to the formation of benzylmercapturic acid in the rat.

The formation of benzylmercapturic acid in rats involves the sulphate ester of benzyl alcohol as an obligatory intermediate, but does not involve a metabolic intermediate with sufficient reactivity for toxicological relevance.

Citations

Stable isotope-resolved metabolomics and applications for drug development.

Stable isotope-resolved metabolomics revolutionizes our understanding of complex human diseases, clinical diagnostics, and individualized therapeutics, enabling new drug targets and ADME studies.

Fluorine Elimination from 4-Fluorobenzyl Alcohol by Pseudomonas spp.

Pseudomonas aeruginosa strain IE653 effectively eliminates fluoride ions from 4-fluorobenzyl alcohol metabolites, potentially aiding in bioremediation technology for fluoride removal and detoxification.