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A series of 1,3-disubstituted imidazolium salts were synthesized through a convenient synthetic approach based on the reaction of 1,4-diazabuta-1,3-dienes with HClO. Their antitumor activity was evaluated in vitro against a number of human cancer cells. 1,3-Bis[(3,5-bis(trifluoromethyl)phenyl]imidazolium perchlorate turned out to be the most active against A549 and MCF-7 cancer cell lines with IC values of 5.24 and 4.21 μM, respectively. The results of structure-activity relationship study indicated that substituents on the imidazole derivatives play an important role in their cytotoxic activities. Finally, molecular docking of some tested compounds was carried out in order to investigate their binding pattern with the CDK2. [ABSTRACT FROM AUTHOR]

Metal complexes display functional interfaces for association with and stimulation of certain enzymes, that are liable to transfer genetic information in DNA for synthesis of specific proteins. Biological activity of five organotin carboxylates based on the ligand, 4-oxo-4-[3-(trifluoromethyl)phenylamino]butanoic acid, such as [BuSnL] ( 1), [PhSnL] ( 2), [MeSnL] ( 3), [BuSnL] ( 4), and [PhSnL] ( 5) have been synthesized and their biological activity as a function of substitution on the ligand was tested. Structure of the complexes was evaluated by elemental analysis, FT-IR and H, and C NMR spectra. FT-IR data and theoretical calculations revieled that the ligand acted as bidentate in complexes 1- 5. NMR data revealed four and six coordinated geometry of tin in solutions. The HOMO-LUMO study indicated thermodynamic stability of the complexes. AFM confirmed catalytic potential of the synthesized complexes. Biological screening showed that, with few exceptions, all the complexes exhibited significant activity against various bacterial and fungal strains. UV-Vis study confirmed that the ligand and its complexes binded to DNA via intercalative interactions. [ABSTRACT FROM AUTHOR]

Cyclocondensation of methyl 2-(5-methylisoxazol-3-yl)imino-3,3,3-trifluoropropionate with 1,3-binucleophiles such as benzamidines, aminothiazoline, and 2-aminocrotonic acid nitrile results in trifluoromethyl-containing 3,5-dihydro-4-ones, 2,3-dihydro-6 H-imidazo[2,1- b]thiazol-5-one, and 4,5-dihydro-1 H-pyrrole-3-carbonitrile. [ABSTRACT FROM AUTHOR]

We have compared the coordination properties of decamethyl-substituted 3,3′-bis-(dipyrrolylmethenes) (HL) with different ms-spacers separating the dipyrrolylmethene domains: methylene -CH-, methoxyphenylmethylene -CH( p-CHOMe)-, and trifluoromethylmethylene -CH(CF)-. The stable binuclear homoligand complexes [ML] are formed in reactions of the ligands with Co(II), Ni(II), Cu(II), Zn(II), Cd(II), and Hg(II) acetates. In the cases of all HL ligands the thermodynamic constants of the complex formation reactions increase in the following series: Cu(II) < Cd(II) < Hg(II) < Ni(II) < Co(II) < Zn(II). The change in -CH- ms-spacer to -CH( p-CHOMe)- or -CH(CF)- results in a decrease in the constant of HL complex formation by 1-4 orders of magnitude, the cation being the same. The influence of ms-substitution on the stability and luminescence properties of [ML] has been discussed. [ABSTRACT FROM AUTHOR]

Methyl trifluoropyruvate benzothiazol-2-ylimines exhibit both a heterodiene and a dienophile properties in the Diels-Alder aza-reaction with cyclopentadiene and cyanoamines, leading to the formation of 4-substituted 2-trifluoromethyl-2 H-[1,3,5]triazine[2,1- b][1,3]benzothiazole and 2-benzothiazol-2-yl-3-trifluoromethyl-2-azabicyclo[2.2.1]hept-5-ene, respectively. [ABSTRACT FROM AUTHOR]