Agonigi, GabrieleBatchelor, Lucinda K.Ferretti, EleonoraSchoch, SilviaBortoluzzi, MarcoBraccini, SimonaChiellini, FedericaBiancalana, LorenzoZacchini, StefanoPampaloni, GuidoSarkar, BiprajitDyson, Paul J.Marchetti, Fabio2020-05-302020-05-302020-05-302020-04-0110.3390/molecules25071656https://infoscience.epfl.ch/handle/20.500.14299/169013WOS:000531833400181A series of diiron/tetrairon compounds containing a S- or a Se-function (2a-d, 4a-d, 5a-b, 6), and the monoiron [FeCp(CO){SeC1(NMe2)(CHC3)-H-2(Me)}] (3) were prepared from the diiron mu-vinyliminium precursors [Fe2Cp2(CO)( mu-CO){mu-eta(1): eta(3)-C-3(R')(CHCN)-H-2-N-1(Me)(R)}]CF3SO3 (R = R' = Me, 1a; R = 2,6-C6H3Me2 = Xyl, R' = Ph, 1b; R = Xyl, R' = CH2OH, 1c), via treatment with S-8 or gray selenium. The new compounds were characterized by elemental analysis, IR and multinuclear NMR spectroscopy, and structural aspects were further elucidated by DFT calculations. The unprecedented metallacyclic structure of 3 was ascertained by single crystal X-ray diffraction. The air-stable compounds (3, 4a-d, 5a-b, 6) display fair to good stability in aqueous media, and thus were assessed for their cytotoxic activity towards A2780, A2780cisR, and HEK-293 cell lines. Cyclic voltammetry, ROS production and NADH oxidation studies were carried out on selected compounds to give insights into their mode of action.Biochemistry & Molecular BiologyChemistry, MultidisciplinaryBiochemistry & Molecular BiologyChemistrybioorganometallic chemistrymetal-based drugsdiiron complexesvinyliminium ligandsulphurseleniumbridging hydrocarbyl ligandsdiiron complexesbond formationmolecular-mechanismsbasis-setsin-vitroanticancerplatinumagentscytotoxicitytext::journal::journal article::research article