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Application of directly coupled LC–NMR–MS to the structural elucidation of metabolites of the HIV-1 reverse-transcriptase inhibitor BW935U83 by John P Shockcor; Steve E Unger; Paul Savina; Jeremy K Nicholson; John C Lindon is a Chemistry article available to read on EtoBox.

What is Application of directly coupled LC–NMR–MS to the structural elucidation of metabolites of the HIV-1 reverse-transcriptase inhibitor BW935U83 about?

The human in vivo metabolism of the HIV-1 reverse transcriptase inhibitor 5-chloro-1-(29,39-dideoxy-39-fluoro-erythro-19 pentofuranosyl)uracil (BW935U83) was studied using F NMR spectroscopy, directly coupled LC-NMR and LC-NMR-19 MS. The number and relative proportions of the drug metabolites were obtained from F NMR spectra of whole human 19 urine. The novel use of the continuous-flow F detected LC-NMR experiment yielded chromatographic retention times and 19 F chemical shifts for the parent drug, the glucuronide conjugate of the parent and an early eluting polar metabolite. The 1 parent drug and its glucuronide conjugate were easily characterised by directly coupled H LC-NMR spectroscopy and 19 two-dimensional TOCSY experiments. The identification of the second metabolite was achieved using F NMR and directly 1 coupled H LC-NMR-MS which furnished the molecular weight, and through the use of MS-MS techniques, information on the fragment ions. This species was identified as 3-fluoro-ribolactone.

Who reads Application of directly coupled LC–NMR–MS to the structural elucidation of metabolites of the HIV-1 reverse-transcriptase inhibitor BW935U83?

Author

John P Shockcor; Steve E Unger; Paul Savina; Jeremy K Nicholson; John C Lindon

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0378-4347)

Published

2000

Language

EN

Field

Chemistry (Physical Sciences)