Synthesis of 5-epi-[6-(2)H(2)]valiolone and stereospecifically monodeuterated 5-epi-valiolones: exploring the steric course of 5-epi-valiolone dehydratase in validamycin A biosynthesis

J Org Chem. 2001 Jul 27;66(15):5066-73. doi: 10.1021/jo0101003.

Abstract

In validamycin A biosynthesis, as well as that of acarbose, the valienamine and validamine moieties are ultimately derived from a C(7) sugar, sedoheptulose 7-phosphate, which is cyclized to 2-epi-5-epi-valiolone by a cyclase that operates via a dehydroquinate (DHQ) synthase-like mechanism. 2-epi-5-epi-Valiolone is first epimerized at C-2 to give 5-epi-valiolone and then dehydrated between C-5 and C-6 to yield valienone. To probe the dehydration mechanism of 5-epi-valiolone to valienone, stereospecifically 6alpha- and 6beta-monodeuterated 5-epi-valiolones were synthesized. The key step in the synthesis was desulfurization of the tetrabenzyl-6,6-bis(methylthio)-5-epi-valiolone and introduction of the deuterium utilizing Zn, NiCl(2), ND(4)Cl/D(2)O, and THF. Extensive studies using various combinations of protio- and deuteroreagents and solvents probed the mechanism of the reductive desulfurization, which is crucial for the preparation of stereospecifically monodeuterated 5-epi-valiolones. Incorporation experiments with the labeled precursors in the validamycin A producer strain, Streptomyces hygroscopicus var. limoneus, revealed that the dehydration of 5-epi-valiolone to valienone occurs by a syn elimination of water.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Antifungal Agents / biosynthesis*
  • Carbohydrate Sequence
  • Hydro-Lyases / chemical synthesis*
  • Indicators and Reagents
  • Inositol / analogs & derivatives
  • Inositol / biosynthesis*
  • Inositol / chemical synthesis*
  • Molecular Sequence Data
  • Nickel
  • Solvents
  • Streptomyces / chemistry*
  • Zinc

Substances

  • 5-epi-(6-(2)H2)valiolone
  • Antifungal Agents
  • Indicators and Reagents
  • Solvents
  • validamycin A
  • Inositol
  • Nickel
  • 5-epi-valiolone dehydratase
  • Hydro-Lyases
  • Zinc