Structural studies of loteprednol etabonate and other analogs of prednisolone using NMR techniques

Steroids. 1996 Sep;61(9):524-30. doi: 10.1016/s0039-128x(96)00090-6.

Abstract

Several structural analogs of prednisolone, prepared by esterification of the carboxylic and/or the C(17)-hydroxy group of 11 beta, 17 alpha-dihydroxy-3-oxo-androsta-1,4-diene-17 beta-carboxylic acid, were investigated by NMR. Step-by-step analysis of the 1H and 13C NMR spectra of these steroids, including proton-proton selective decoupling, nuclear Overhauser effect difference spectra, attached proton test, proton-carbon correlation (HETCOR), proton-proton correlation (COSY), and long-range proton-carbon decoupling (INAPT) techniques, led to unequivocal assignments of all their proton and carbon resonances. The stereochemical structure of loteprednol etabonate (chloromethyl 17 alpha-ethoxycarbonyloxy-11 beta-hydroxy-3-oxoandrosta-1,4-diene-17 beta-carboxylate, 1), a soft corticosteroid antiinflammatory drug, was proved to be analogous to prednisolone.

Publication types

  • Comparative Study

MeSH terms

  • Androstadienes / chemical synthesis
  • Androstadienes / chemistry*
  • Loteprednol Etabonate
  • Magnetic Resonance Spectroscopy
  • Molecular Structure
  • Prednisolone / analogs & derivatives*
  • Prednisolone / chemistry*
  • Structure-Activity Relationship

Substances

  • Androstadienes
  • Prednisolone
  • Loteprednol Etabonate