Synthesis and evaluation of two positron-labeled nitric oxide synthase inhibitors, S-[11C]methylisothiourea and S-(2-[18F]fluoroethyl)isothiourea, as potential positron emission tomography tracers

J Med Chem. 1996 Dec 20;39(26):5110-8. doi: 10.1021/jm960481q.

Abstract

In an effort to develop a tracer for probing inducible nitric oxide synthase (iNOS) levels in vivo utilizing positron emission tomography, we have synthesized and evaluated two positron-emitting iNOS selective inhibitors: S-[11C]methylisothiourea (1b) and S-(2-[18F]fluoroethyl)-isothiourea (3b). Prior to fluorine-18 labeling, the nonradioactive fluoro derivative S-(2-fluoroethyl)isothiourea (3a) was prepared and determined to have a 9-fold higher selectivity for iNOS compared to endothelial NOS (eNOS). Radiochemical synthesis of both compounds, in high radiochemical purity and at high specific activity, was accomplished by the S-alkylation reaction of labeled precursors (11CH3I or 18FCH2CH2OTf) with thiourea. An in vitro model, J774 macrophage cell line, was used to assess the uptake of radiolabeled iNOS inhibitor in response to iNOS induction at the cellular level. Increased cell uptake of these two labeled compounds at stimulated iNOS levels, as well as blocking under controlled in vitro conditions, was observed. Lipophilicity (log P o/w), stability, and tissue biodistribution data of both compounds are reported. Serum stability studies indicate that 3b metabolized much more rapidly compared to the relatively stable 1b in vitro and in vivo. Based on in vitro cell uptake data, both tracers were further evaluated in lipopolysaccharide (LPS)-pretreated rats. LPS has been reported to induce iNOS protein expression in the liver, lung, heart, and kidney and other tissues. The uptake for LPS-pretreated rats (6 h post-treatment) was significantly increased in the liver, kidney, and heart for 3b at 10 min and in the liver and lung for 1b at 30 min. The results suggest that this first generation of radiolabeled inhibitors may be useful for assessing induction of iNOS in vivo with PET.

Publication types

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

MeSH terms

  • Animals
  • Carbon Isotopes
  • Female
  • Fluorine
  • Half-Life
  • Isothiuronium / analogs & derivatives*
  • Isothiuronium / blood
  • Isothiuronium / chemistry
  • Isothiuronium / pharmacology
  • Magnetic Resonance Spectroscopy
  • Nitric Oxide Synthase / antagonists & inhibitors*
  • Rats
  • Rats, Sprague-Dawley
  • Spectrometry, Mass, Fast Atom Bombardment
  • Thiourea / analogs & derivatives*
  • Thiourea / blood
  • Thiourea / chemical synthesis
  • Thiourea / pharmacology
  • Tissue Distribution
  • Tomography, Emission-Computed

Substances

  • Carbon Isotopes
  • S-(2-fluoroethyl)isothiourea
  • Isothiuronium
  • Fluorine
  • Nitric Oxide Synthase
  • S-methylisothiopseudouronium
  • Thiourea