Rhenium(I) and technetium(I) complexes of a novel pyridyltriazole-based ligand containing an arylpiperazine pharmacophore: Synthesis, crystal structures, computational studies and radiochemistry

The preparation of two M(CO)(3) complexes (M = Re and Tc-99m) from a novel pyridyltriazole-based ligand 2 bearing the bioactive (2-methoxyphenyl)piperazine pharmacophore are described. Spectral data, X-ray structure and DFT calculations of the rhenium(I) complex as well as the Tc-99m-labelling of 2 are reported. Both complexes were neutral and iso-structural. Moreover, the Tc-99m-complex presented a suitable lipophilic character for its use as a CNS imaging agent. (C) 2010 Elsevier B.V. All rights reserved.