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2022 ◽  
Author(s):  
Hussein A. K. Kyhoiesh ◽  
Khalid J. Al-Adilee

Abstract The novel ligand 2-[2'-(6-methoxybenzothiazolyl)azo]-3,5-dimethyl benzoic acid (6-MBTAMB), derived from 2-amino-6-methoxy benzothiazole, has been used to synthesize a series of new metal complexes of Ag(I), Pt(IV) and Au(III). The metal complexes were characterized by elemental analyses (CHNS), molar conductivity, crystal structure (XRD), spectroscopic techniques: FT-IR, 1H NMR, 13C NMR, UV-Vis, mass spectra, thermal analysis (TG-DTA), FE-SEM and magnetic properties. Results confirmed that the azo dye ligand behaves a tridentate and coordinates to the metal ion via nitrogen atom of azomethine group of heterocyclic benzothiazole ring, nitrogen atom of the azo group which is the farthest of the benzothiazole molecule and carboxylic oxygen. Antimicrobial properties of all newly synthesized azo compounds are also demonstrated against bacterial pathogenic organisms and fungi. These complexes are more effective against bacteria and less effective against fungi compared to standard antibacterial drugs (Novobiocin) and antifungal drugs (Cycloheximide). By using the DPPH (2,2-diphenyl-1-picrylhydrazyl) radical scavenging test, it was discovered that the complexes had good antioxidant properties. In addition, the (6-MBTAMB) and metal complexes were docked with the crystal structure of FGF Receptor 2 (FGFR2) kinase domain harboring the pathogenic gain of function K659E mutation identified in endometrial cancer using the Molecular Operating Environment module (MOE). In vitro studies on human endometrial cancer cell lines (MFE-296) as well as healthy human umbilical vein endothelial cells (HUVEC) show uptake of the intact compounds by the cancer cells and increased activity against the cancer cells.


Materials ◽  
2022 ◽  
Vol 15 (2) ◽  
pp. 491
Author(s):  
Juan F. Van der Maelen ◽  
Javier Ruiz

DFT theoretical calculations for the Ag2O-induced isomerization process of diaminocarbenes to formamidines, coordinated to Mn(I), have been carried out. The reaction mechanism found involves metalation of an N-H residue of the carbene ligand by the catalyst Ag2O and the formation of a key transition state showing a μ-η2:η2 coordination of the formamidinyl ligand between manganese and silver, which allows a translocation process of Mn(I) and silver(I) ions between the carbene carbon atom and the nitrogen atom, before the formation of the formamidine ligand is completed. Calculations carried out using Cu2O as a catalyst instead of Ag2O show a similar reaction mechanism that is thermodynamically possible, but highly unfavorable kinetically and very unlikely to be observed, which fully agrees with experimental results.


Author(s):  
Jan Henrik Halz ◽  
Andreas Hentsch ◽  
Christoph Wagner ◽  
Kurt Merzweiler

Treatment of 3-formylacetylacetone with the isomeric o-, m- and p-aminobenzoic acids led to the formation of the corresponding Schiff bases, namely, 3-[(2-carboxyphenylamino)methylidene]pentane-2,4-dione, 1, 3-[(3-carboxyphenylamino)methylidene]pentane-2,4-dione, 2, and 3-[(4-carboxyphenylamino)methylidene]pentane-2,4-dione, 3, all C13H13NO4, that contain a planar amino-methylene-pentane-2,4-dione core with a strong intramolecular N—H...O hydrogen bridge. The carboxyphenyl groups attached to the nitrogen atom are almost coplanar to the central molecular fragment. Depending on the position of the carboxyl unit, different supramolecular structures with hydrogen-bonding networks are formed in the three title structures.


2021 ◽  
Author(s):  
Till Schmidt-Räntsch ◽  
Hendrik Verplancke ◽  
Jonas N. Lienert ◽  
Serhiy Demeschko ◽  
Matthias Otte ◽  
...  
Keyword(s):  

Author(s):  
Till Schmidt-Räntsch ◽  
Hendrik Verplancke ◽  
Jonas N. Lienert ◽  
Serhiy Demeschko ◽  
Matthias Otte ◽  
...  
Keyword(s):  

2021 ◽  
Vol 14 (12) ◽  
pp. 1274
Author(s):  
Jinyun Chen ◽  
Sunyan Lv ◽  
Jia Liu ◽  
Yanlei Yu ◽  
Hong Wang ◽  
...  

1,3-Oxazole chemicals are a unique class of five-membered monocyclic heteroarenes, containing a nitrogen atom and an oxygen. These alkaloids have attracted extensive attention from medicinal chemists and pharmacologists owing to their diverse arrays of chemical structures and biological activities, and a series of 1,3-oxazole derivatives has been developed into therapeutic agents (e.g., almoxatone, befloxatone, cabotegravir, delpazolid, fenpipalone, haloxazolam, inavolisib). A growing amount of evidence indicates that marine organisms are one of important sources of 1,3-oxazole-containing alkaloids. To improve our knowledge regarding these marine-derived substances, as many as 285 compounds are summarized in this review, which, for the first time, highlights their sources, structural features and biological properties, as well as their biosynthesis and chemical synthesis. Perspective for the future discovery of new 1,3-oxazole compounds from marine organisms is also provided.


Author(s):  
Mariia O. Shyshkina ◽  
Svitlana V Shishkina ◽  
Konstantin S. Ostras ◽  
Nikolay Yu. Gorobets ◽  
Valentyn A. Chebanov ◽  
...  

The title complex, systematic name catena-poly[[[acetatochloridozinc(II)]-μ-(5R,6R,7S)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-amine] monohydrate], {[Zn(C2H3O2)Cl(C15H15N5O)]·H2O} n , is the first coordination complex in which the neutral tetrahydrotriazolopyrimidine derivative acts as bridging ligand between two zinc molecules. As a result, polymeric chains of the coordination complex are found. The coordination of the zinc metal atom occurs with the lone pairs of the triazolo nitrogen atom and amino group. The positive charge of the zinc atom is compensated by the chlorine anion and deprotonated acetic acid. The coordination complex exists as a monohydrate in the crystalline phase. The water molecules bind neighbouring polymeric chains by the formation of O—H...O, O—H...Cl and N—H...O hydrogen bonds.


2021 ◽  
Vol 25 ◽  
Author(s):  
Dau Xuan Duc ◽  
Vo Cong Dung

: Isoxazole derivatives are aromatic five-membered ring heterocyclic compounds with one oxygen atom and one nitrogen atom at adjacent positions. These compounds have a broad spectrum of applications in medicinal chemistry, such as antimicrobial, anticancer, antitumor, antitubercular, analgesic, anti-inflammatory, antidepressant, and anticonvulsant activities and some of them are well-known drugs for the treatment of various diseases in the market. The use of this class of compounds in agriculture as herbicides, insecticides have been widely reported. In organic materials, these compounds have been applied as semiconductors, single-walled nanotubes, liquid crystals, chiral ligands, scaffolds for peptidomimetics, dyes, and high-temperature lubricants. Isoxazole derivatives also play an important role in organic synthesis because they can be converted into several important synthetic units such as β-hydroxy ketones, γ-amino alcohols, α,β-unsaturated oximes, β-hydroxy nitriles, α-hydroxy-β-diketones, and β-dicarbonyl compounds. Due to such a wide range of applicability, the synthesis of isoxazole derivatives has attracted intensive research from chemists. This review will focus on considerable studies on the synthesis of isoxazoles which date back from 2012.


Nanomaterials ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 3101
Author(s):  
Kiyoshi Fujisawa ◽  
Mai Saotome ◽  
Yoko Ishikawa ◽  
David James Young

Cyclic trinuclear complexes with group 11 metal (I) ions are fascinating and important to coordination chemistry. One of the ligands known to form these cyclic trinuclear complexes is pyrazolate, which is a bridging ligand that coordinates many transition metal ions in a Npz–M–Npz linear mode (Npz = pyrazolyl nitrogen atom). In these group 11 metal (I) ions, copper is the most abundant metal. Therefore, polynuclear Copper(I) complexes are very important in this field. The cyclic trinuclear Copper(I) complex [Cu(3,5-Ph2pz)]3 (3,5-Ph2pz– = 3,5-diphenyl-1-pyrazolate anion) was reported in 1988 as a landmark complex, but its photoluminescence properties have hitherto not been described. In this study, we report the photoluminescence and two different polymorphs of [Cu(3,5-Ph2pz)]3 and its derivative [Cu(3-Me-5-Phpz)]3 (3-Me-5-Phpz– = 3-metyl-5-phenyl-1-pyrazale anion). The substituents in [Cu(3-Me-5-Phpz)]3 cause smaller distortions in the solid-state structure and a red-shift in photoluminescence due to the presence of intermolecular cuprophilic interactions.


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