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 99mTc) 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 99mTc-labelling of 2 are reported. Both complexes were neutral and iso-structural. Moreover, the 99mTc-complex presented a suitable lipophilic character for its use as a CNS imaging agent.