The new water-soluble ruthenium(II) mononuclear complexes [RuCp(X)(PTA)(L)] (X = 8-thio-theophyllinate (TTH(-)), L = PTA (1), L = PPh(3) (7)); (X = 8-methylthio-theophyllinate (8-MTT(-)), L = PTA (2), L = PPh(3) (8)), (X = 8-benzylthio-theophyllinate (8-BzTT(-)), L = PTA (3), L = PPh(3) (9)) and binuclear complexes [{RuCp(PTA)(L)}(2)-μ-(Y-κN7,N'7)] (Y = bis(S-8-thiotheophyllinate)methane (MBTT(2-)), L = PTA (4), L = PPh(3) (10)), (Y = 1,2-bis(S-8-thiotheophyllinate)ethane (EBTT(2-)), L = PTA (5), L = PPh(3) (11)), (Y = 1,3-bis(S-8-thiotheophyllinate)propane (PBTT(2-)); L = PTA (6), L = PPh(3) (12)) have been synthesized and characterized by NMR, IR spectroscopy and elemental analysis. The single crystal X-ray structure of [RuCp(8-MTT-κS)(PTA)(2)] (2) was also obtained. The antiproliferative activity of the complexes on cisplatin-sensitive T2 and cisplatin-resistant SKOV3 cell lines has been evaluated.

Complexes [RuCp(Adeninate‐κN9)(PTA)2] (1), [RuCp(Guaninate‐κN9)(PTA)2] (2), [RuCp(Theophyllinate‐κN7)(PTA)2] (3), [RuCp(Adeninate‐κN9)(PPh3)(PTA)] (4), [RuCp(Guaninate‐κN9)(PPh3)(PTA)] (5) and [RuCp(Theophyllinate‐κN7)(PPh3)(PTA)] (6) were synthesized and characterized by NMR spectroscopy, elemental analysis and FT‐IR (PTA = 1,3,5‐triaza‐7‐phosphaadamantane). Crystal structures of 1·H2O·3EtOH, 3·CH3COCH3 and 4·H2O were also determined by single‐crystal X‐ray diffraction. The antiproliferative activities of the complexes against cisplatin‐sensitive T2 and cisplatin‐resistant SKOV3 cell lines have also been evaluated. Theoretical studies were preformed to elucidate how the adeninate ligand is coordinated to the metal.

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Two new thiopurine-kS-complexes, [RuCp(8MTT-kS)(mPTA)(PPh3)] + (1) and [RuCp(8MTT-kS)(mPTA)2] 2+ (2) were synthesized and characterized by single crystal X-ray diffraction. The thiopurine coordination was evaluated by DFT theoretical methods by study of the isomer complexes in gas phase and water.

Thiopurines bis(S-8-thiotheophylline)methane (MBTTH2), 1,2-bis(S-8thiotheophylline)ethane (EBTTH2) and 1,3-bis(S-8-thiotheophylline)propane (PBTTH2) were reacted with [RuClCp(mPTA)2](CF3SO3)2 in water to afford the biruthenium complexes [{RuCp(mPTA)2}2-µ-(L-kN7,N´7)](CF3SO3)4 (1: L = MBTT; 2: L = EBTT; 3: L = PBTT), which have been characterized by elemental analysis, IR and NMR multinuclear ( 1 H, 13 C{ 1 H}, 31 P{ 1 H} and 19 F{ 1 H}) spectroscopy. Diffusion experiments for 1 were carried out. Proposed structures for the three complexes were also supported by theoretical calculations. Their cyclic voltammetry showed that all these complexes are characterized by two one-electron irreversible oxidative responses (Ru