-diamino-(6-chloro-4-oxo-4H-chromen-3-yl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile (4) with some electrophilic reagents. The structures of the novel compounds were established by elemental analyses and spectral data. All the products were also screened in vitro for their antimicrobial activity. Compounds 7, 9 and 15 showed the highest activities when compared with the reference drugs.

A síntese de alguns novos derivados de pirido [1,2-b][1,2,4]triazinas (2-12) foi obtida através da ciclocondensação de 4-aril-1,6-diamino-2-oxo-1,2-diidropiridina-3,5-dicarbonitrilas (1a,b) com compostos α,β-bifuncionais. Foram também preparadas pirido[1,2:2´,3´]triazino[5´,6´-f] triazinas (13)(14). O comportamento de 1a,b frente às interações com indol-2,3-diona e seu análogo N-acetil foi estudado em diferentes condições de reação. As estruturas dos novos produtos foram deduzidas a partir de análise elementar e de dados espectroscópicos (UV, IR, 1 H RMN, 13C RMN e espectrometria de massas). Os novos compostos sintetizados foram testados quanto à atividade antifungos.The synthesis of some new pyrido[1,2-b][1,2,4]triazines (2-12) was achieved by cyclocondensation of 4-aryl-1,6-diamino-2-oxo-1,2-dihydropyridine-3,5-dicarbonitriles (1a,b) with α,β-bifunctional compounds. Pyrido[1,2:2´,3´]triazino[5´,6´-f]triazines (13-14) were also prepared. The behavior of 1a,b toward interactions with indole-2,3-dione and its N-acetyl analogue have been studied under different reaction conditions. The structures of the new products have been deduced from elemental analysis and spectral data (UV, IR, 1 H NMR, 13 C NMR and mass spectra). The new synthesized compounds were screened for their antifungal activities.

New ONS hydrazone ligand, 2‐[(2‐aminochromon‐3‐yl)methylidene]‐N‐phenylhydrazinecarbothioamide, HL, was synthesized and reacted with different salts of Cu (II) ion (OAc−, NO3−, SO42− and Cl−) in absence and presence of secondary ligands (L′); 8‐hydroxyquinoline, 1,10‐phenanthroline or SCN−; to form binary and ternary Cu(II)‐chelates. The ligand and its Cu(II)‐complexes were fully characterized by analytical, spectral, thermal, conductivity and magnetic susceptibility measurements. The metal chelates showed octahedral, square planar and /or distorted tetraherdal arrangements. Coats–Redfern equations used to calculate the kinetic parameters of the thermal decomposition stages (Ea, A, ΔH, ΔS and ΔG). The compounds exhibit luminescence property; promising interesting potential applications as photoactive materials. Lippert–Mataga, Bakhshiev, Kawski–Chamma–Viallet and microscopic solvent polarity parameter and ETN correlation methods were applied on the solvatochromic shifts of emission spectra to evaluate the ground (μg) and excited (μe) states dipole moments. Excited state dipole moment is larger than the ground state which may be attributed to π‐π* transition. The coordinating anions play an important role on the position and intensity of emission band. The ligand and its metal complexes showed antimicrobial activity towards Gram–positive bacteria, Gram–negative bacteria, yeast and fungus. The molecular structural parameters of HL and its Cu(II)‐ complexes have been calculated on the basis of DFT engaged in the Gaussian 09 program at the B3LYP/6‐31G(d,p) level; the theoretical data are correlated with the experimental data.

A novel semicarbazone NO 2 ligand, H 2 L, was synthesized. The ligand reacted with several metal ions such as Cu(II), Ni(II), Co(II), Fe(III), Cr(III), and Mn(II) in a molar ratio 1:1 (M:L). The H 2 L ligand and its metal complexes were characterized by electronic, infrared, mass, nuclear magnetic resonance, electron spin resonance spectra, as well as elemental analysis, thermal analysis, molar conductance, and magnetic susceptibility measurements. The Coats-Redfern equations were used to calculate the kinetic parameters (E a , A, ΔH, ΔS, and ΔG) of the thermal decomposition stages. The H 2 L ligand acts as dianionic NO 2 tridentate in all complexes and coordinates through enolate oxygen, azomethine nitrogen, and deprotonated OH group. The geometrical arrangements in all metal complexes were octahedral geometries. Based on density functional theory (DFT) level implemented in the Gaussian 09 program at B3LYP/6-311G(d,p) level, the molecular structural parameters of the ligand and its metal complexes were calculated, and the theoretical data were connected with the experimental results. The antimicrobial activity of the current compounds was examined against Gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis), Gram-negative bacteria (Salmonella typhimurium and Escherichia coli), yeast (Candida albicans), and fungus (Aspergillus fumigatus). The antitumor activity of the ligand and its metal complexes was investigated against HepG2 cell line, which revealed promising IC 50 values comparable with that of Cis-platin. All synthesized compounds were also subjected to molecular docking studies to investigate their binding pattern and affinity for the VEGFR-2 active site and correlated with antitumor data.

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