Tapavicza, E.Renfrew, Anna K.Phillips, Andrew D.Scopelliti, RosarioRothlisberger, UrsulaDyson, Paul J.2009-10-062009-10-062009-10-06200910.1021/om900345nhttps://infoscience.epfl.ch/handle/20.500.14299/43093WOS:000269424200023A series of compounds of general formula [Ru(eta(6)-fluoroarene)(pta)Cl-2] (fluoroarene = C6H5F, C6H5CF3, and 1,4-C6H4CH3F; pta = 1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane) have been prepared and characterized spectroscopically. Additionally, X-ray diffraction was employed to characterize two of the complexes and the corresponding precursors, i.e., [Ru(acac)(2)(eta(4)-cod)] and Ru(eta(6)-fluoroarene)(eta(4)-cod)] (cod = cycloocta-1,5-diene). The solubility, pK(a)'s, and the stability toward hydrolysis of the [Ru(eta(6)-fluoroarene)(pta)Cl-2] complexes were studied, and DFT calculations were performed to assist in rationalizing the observed properties at a molecular level. The cytotoxicities of the pta-based Compounds were evaluated in A2780 ovarian cancer cells, and the observed activities were correlated to the above-mentioned properties. The rate of hydrolysis of the Ru-Cl bonds in the C6H5CF3 derivative was found to increase significantly at low pH, which represents a possible method of tumor targeting based on the reduced pH of this particular cellular environment.Titanocene Anticancer DrugsBioorganometallic ChemistryMolecular RecognitionAqueous-SolutionMetal-ComplexesPta ComplexesPk(A) ValuesSide-ChainsRutheniumBindingtext::journal::journal article::research article