Synthesis, X-ray crystal structure and cytotoxicity studies of zinc(II) and cadmium(II) iodide complexes with antipyrine. (14th December 2015)

• Record Type: Journal Article
• Authors: Rukk, Nataliya S.; Kuzmina, Lyudmila G.; Albov, Dmitry V.; Shamsiev, Ravshan S.; Mudretsova, Svetlana N.; Davydova, Galina A.; Retivov, Vasilii M.; Volkov, Pavel A.; Kravchenko, Valerij V.; Apryshko, Galina N.; Streletskii, Andrej N.; Skryabina, Alena Yu.; Mironova, Elena A.; Zamalyutin, Vyacheslav V.
• Is Part Of: Polyhedron. Volume 102(2015)
• Page Start: 152
• Page End: 162
• Publication Date: 2015-12-14
• Subjects: Zinc and cadmium complexes -- Antipyrine -- Cytotoxicity -- Crystal structure -- Density functional calculations; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2015.09.011
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Complexes [Zn(AP)2 I2 ] (1 ) and the isomorphous ones [Cd(AP)6 ][Cd(AP)X3 ]2 consisting of octahedral cations [Cd(AP)6 ] 2+ and [Cd(AP)X3 ] − anions (AP – antipyrine, 2, 3-dimethyl-1-phenyl-3-pyrazolin-5-one; X = I (2 ) or Br(3 )) were prepared and characterized by single crystal X-ray diffraction, IR vibrational spectroscopy, thermal analysis and DFT calculations. Cytotoxicity of iodide compounds was studied and discussed. Highlights: Zinc and cadmium complexes with bioactive ligands. Single-crystal XRD studies and DFT calculations. Cytotoxicity studies. Abstract: Molecular complex [Zn(AP)2 I2 ] (1 ) and the isomorphous ones [Cd(AP)6 ][Cd(AP)X3 ]2 consisting of octahedral complex cations [Cd(AP)6 ] 2+ and the respective complex anions [Cd(AP)X3 ] − (AP – antipyrine, 2, 3-dimethyl-1-phenyl-3-pyrazolin-5-one; X = I (2 ) or Br(3 )) were prepared and characterized by single crystal X-ray diffraction, IR vibrational spectroscopy, thermal analysis and DFT calculations. It was found that antipyrine molecules are coordinated by the metal atom, in both zinc-containing molecular complex (1 ) and in the cadmium-containing complex cations and anions (compounds (2 ) and (3 )), via an oxygen atom of the ligand carbonyl group. The experimental results confirm the calculated ones. Both zinc (cadmium) iodides and their antipyrine complexes demonstrate cytotoxic activity in vitro at 10 −5 –10 −3 mol/L, and are promising ones for further investigations of their anticancer activity both in vitro and in vivo .