1,2,3-triazole and chiral Schiff base hybrids as potential anticancer agents: DFT, molecular docking and ADME studies.

A series of novel 1,2,3-triazole and chiral Schiff base hybrids 2-6 were synthesized by Schiff base condensation reaction from pre-prepared parent component of the hybrids (1,2,3-triazole 1) and series of primary chiral amines and their chemical structure were confirmed using NMR and FTIR spectroscopies, and CHN elemental analysis. Compounds 1-6 were evaluated for their anticancer activity against two cancer PC3 (prostate) and A375 (skin) and MRC-5 (healthy) cell lines by Almar Blue assay method. The compounds exhibited significant cytotoxicity against the tested cancer cell lines.

Prop-2-ynyl 3-meth-oxy-4-(prop-2-yn-yloxy)benzoate.

The title compound, CHO, comprises of two crystallographically independent mol-ecules in the asymmetric unit, linked C-H⋯O inter-actions to form dimeric entities. The allylic groups are twisted out of the phenyl planes with dihedral angles varying between 7.92 (13) and 25.

Lanthanum-1,2,3-Triazole-Based 2D Coordination Polymer is an Efficient Catalyst for the Oxidation of Olefins.

A new two-dimensional (2D) coordination polymer (CP) [La(CHNO)(HO)(OH)] has been prepared from a 1,2,3-triazole linker and lanthanum nitrate hexahydrate in DMF. The La-CP was characterized by single-crystal X-ray crystallography, highlighting the binding motif at La ions and the fact that the material contains channels with entrapped solvent. The CP showed good catalytic activity for the oxidation of a wide variety of olefins (linear, cyclic, aromatic, and functionalized alkenes) to aldehydes.

Evaluation of the Influence of thiosemicarbazone-triazole hybrids on genes implicated in lipid oxidation and accumulation as potential anti-obesity agents.

A series of thiosemicarbazone-triazole hybrids 1a-h are efficiently synthesised and evaluated for their influence on the expression of genes, cpt-1, acc-1 and pgc-1, which are essential in lipid metabolism. The test results show that hybrids 1c and 1g exhibited relatively high influence on the expression of cpt-1 and pgc-1 and suppression of acc-1 as desired.

2-[(3-Oxo-1-benzofuran-6-yl)-oxy]aceto-nitrile.

The mol-ecule of the title compound, C11H8O3, is essentially planar [r.m.s.

2-(2-Hy-droxy-propan-2-yl)-6-(prop-2-yn-yloxy)-1-benzofuran-3(2H)-one.

In the title compound, C14H14O4, the prop-2-yn-yloxy O-C-C C plane [maximum deviation = 0.0116 (12) Å] forms a dihedral angle of 78.44 (9)° with the benzofuran-3(2H)-one ring system.

N-[4-(2-Propyn-1-yl-oxy)phen-yl]acetamide.

The title compound, C(11)H(11)NO(2), was synthesized by chemoselective N-acetyl-ation of 4-amino-phenol followed by reaction with propargyl bromide in the presence of K(2)CO(3). the acetamide and propyn-1-yloxy substituents form dihedral angles of 18.31 (6) and 7.

S-Phenyl benzothio-ate.

In the title compound, C(13)H(10)OS, the phenyl rings are inclined to one another by 51.12 (8)°. There is a short C-H⋯S contact in the molecule.