Microwave-induced synthesis of schiff bases of aminothiazolyl bromocoumarins as antibacterials

A fast and highly efficient method for the synthesis of some of the schiff bases of aminothiazolylbromocoumarin (4a-m) has been performed by microwave irradiation of 2′-amino-4′-(6-bromo-3-coumarinyl) thiazole (3) and substituted aromatic aldehydes (a-m). Microwave assisted reactions have resulted in better yields of the desired products than when prepared under conventional conditions. The resulting products were evaluated for their qualitative and quantitative antibacterial activity

6-Bromo-3-(dibromoacetyl)-2H-chromen-2-one

In the title compound, $C_{11}H_5Br_3O_3$, the coumarin group is planar [maximum deviation from the mean plane is 0.032 (3) \AA] and makes a dihedral angle of $19.9 (3)^o$ with the dibromoacetyl group. The crystal structure is stabilized by $C-H...O$ hydrogen bonds

A Device to Crystallize Organic Solids: Structure of Ciprofloxacin, Midazolam, and Ofloxacin as Targets

The crystal structure determination of the anhydrous form of any organic compound has been a challenge because of solvent incorporation during crystallization. A device to grow anhydrous forms of low melting organic solids based on vaporization and condensation by a gradient cooling technique has been designed. Its utility has been evaluated by growing anhydrous forms of ciprofloxacin, midazolam, and ofloxacin. Ciprofloxacin crystallizes in triclinic P (1) over bar, midazolam in monoclinic P2(1)/n, and ofloxacin in the C2/c space group. Comparative studies on the conformational features with solvated structure show no significant variation in the aromatic moieties

Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing

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Design, synthesis, and computational studies on dihydropyrimidine scaffolds as potential lipoxygenase inhibitors and cancer chemopreventive agents

Katharigatta N Venugopala,1,2 Reshme Govender,2 Mohammed A Khedr,1,3 Rashmi Venugopala,4 Bandar E Aldhubiab,1 Sree Harsha,1 Bharti Odhav2 1Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa, Kingdom of Saudi Arabia; 2Department of Biotechnology and Food Technology, Durban University of Technology, Durban, South Africa; 3Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Helwan University, Ein Helwan, Cairo, Egypt; 4Department of Public Health Medicine, University of KwaZulu-Natal, Howard College Campus, Durban, South Africa Abstract: Dihydropyrimidine scaffold has a wide range of potential pharmacological activities such as antiviral, antitubercular, antimalarial, anti-inflammatory, and anticancer properties. 5-Lipoxygenase enzyme is an enzyme responsible for the metabolism of arachidonic acid to leukotrienes. The elevated levels of this enzyme and its metabolites in cancer cells have a direct relation on the development of cancer when compared to normal cells. The development of novel lipoxygenase inhibitors can have a major role in cancer therapy. A series of substituted 1,4-dihydropyrimidine analogues were synthesized and characterized by 1H-NMR, 13C-NMR, and HRMS. Molecular docking against lipoxygenase enzyme (protein data bank code =3V99) was done using Molecular Operating Environment 2013.08 and Leadit 2.1.2 softwares and showed high affinities. The synthesized compounds were tested for their lipoxygenase inhibitory activity and showed inhibition ranging from 59.37%±0.66% to 81.19%±0.94%. The activity was explained by a molecular docking study. The title compounds were also tested for cytotoxic activity against two human cancer cell lines Michigan Cancer Foundation-7 and human melanoma cells and a normal peripheral blood mononuclear cell line. Keywords: 1,4-dihydropyrimidines, synthesis and characterization, molecular docking stud

Quantitative analysis of intermolecular interactions in 7-hydroxy-4-methyl-2H-chromen-2-one and its hydrate

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3-Dibromoacetyl-2H-chromen-2-one

he molecular structure of the title compound, C11H6Br2O3, contains a planar coumarin ring system which makes a dihedral angle of 18.5(1)degrees with the bromoacetyl group. The structure is stabilized by intermolecular C-H center dot center dot center dot O hydrogen bonds and pi-pi aromatic stacking interactions, with centroid centroid distances of 3.567 ( 2) ( symmetry code: -x, -y, -z) and 3.642 ( 2) angstrom ( -x + 1, -y, -z). A short Br center dot center dot center dot Br [3.4605 ( 8) angstrom] contact also stabilizes the crystal structure

3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one

The crystal structure of the title compound,$C_{19}H_{13}BrN_{2}O_{2}S$,contains two molecules (A and B) in the asymmetric unit. The planar coumarin systems make dihedral angles of 5.47 (1) and $6.42 (1){^o}$ with the thiazole rings in the two unique molecules.The structure is stabilized by intermolecular N—H...N, N—H...O, C—H...O and C—H... hydrogen bonds andaromatic stacking interactions; intramolecular C—H...Ohydrogen bonds also influence the molecular conformation

3-(2-Bromoacetyl)-6-fluoro-2H-chromen-2-one

The non-H atoms of the title compound, C(11)H(6)BrFO(3), are essentially coplanar (r.m.s. deviation for all non-H atoms = 0.074 angstrom). In the crystal, the molecules are linked by C-H center dot center dot center dot O and C-H center dot center dot center dot Br interactions