315672-60-7Relevant academic research and scientific papers
Thermodynamics and Kinetics of the Reaction between Pyridoxal-5-Phosphate and Hydrazides of 2-Methylfuran-3-Carboxylic and Thiophene-3-Carboxylic Acids in an Aqueous Solution
Gamov,Zavalishin,Kabirov,Usacheva,Sharnin
, p. 192 - 197 (2019)
Abstract: The stability constants of pyridoxal-5-phosphate hydrazones formed with 2-methylfuran-3-carbohydrazide and thiophene-3-carbohydrazide in an aqueous solution at pH 1.9, 6.6, 7.0, and 7.4 are determined via spectrophotometry. The kinetics of the processes of formation and hydrolysis of the Schiff bases are studied, and the constant of the direct and reverse reactions are calculated from the electronic absorption spectra. The stability constants of the Schiff bases are calculated from their ratio. The thermodynamic parameters of the reaction of formation (log K, ΔH, and TΔS) of both hydrazones at pH 6.6 are determined via calorimetry. The reasons for the differences between the equilibrium constants calculated from the data of spectrophotometric and kinetic experiments are discussed, and the reliability of the obtained results is analyzed.
Photophysical, electrochemical and TD-DFT studies of Ni(II) and Mn(II) complexes of N′-(2-methylfuran-3-carbonyl)hydrazine carbodithioic acid ethyl ester
Chaurasia,Bharty,Nath, Paras,Sonkar, Piyush Kumar,Ganesan, Vellaichamy,Maiti,Bharti,Butcher
, (2019)
Two new complexes [Ni(Hmfchce)2(py)2] (1) and [Mn(Hmfchce)2(o-phen)] (2) with [N′-(2-methylfuran-3-carbonyl)hydrazine]-carbodithioic acid ethyl ester (H2mfchce) have been synthesized which contain o-phenanthroline (o-phen)/pyridine (py) as coligand. The ligand and its metal complexes have been characterized by elemental analyses, IR, magnetic susceptibility and single crystal X-ray diffraction data. Complexes 1 and 2 crystallize in orthorhombhic system with space group ‘Pbca’ and ‘Pbcn’, respectively. In complex 1, nickel centre is coordinated through one hydrazine nitrogen atom, one carbonyl oxygen of two units of ligand and two pyridine nitrogen atoms. The manganese center in complex 2 is coordinated in a N4O2 core by two uininegative bidentate ligands using hydrazine nitrogen (after loss of proton) and carbonyl oxygen and two nitrogen atoms of o-phen. In both complexes, the metal ion adopts a distorted octahedral geometry. Complexes 1 and 2 are fluorescent materials which exhibit an emission at 291 and 285 nm, respectively upon excitation at 263 and 251 nm. The course of the thermal degradations of complexes 1 and 2 have been investigated by TGA which indicate that metal oxide is formed as the final residue in both complexes. The metal complexes, [Ni(Hmfchce)2(py)2] (1) and [Mn(Hmfchce)2(o-phen)] (2) were immobilized on glassy carbon electrodes using Nafion (Nf). The modified electrodes have been characterized by cyclic voltammetry in 0.1 M KOH. Complexes 1 and 2 have efficient activity towards electrochemical water oxidation in the 0.1 M KOH. The simulated spectra of the two complexes 1 and 2 are characterized by excited states with ligand-to-ligand charge-transfer (LLCT) and ligand-to-metal charge-transfer (LMCT) character.
Design, synthesis and anti-influenza virus activity of furan-substituted spirothiazolidinones
Apayd?n, ?a?la Begüm,Tansuyu, Merve,Cesur, Zafer,Naesens, Lieve,G?kta?, Füsun
, (2021)
A new series of N-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)carboxamides have been designed, synthesized and evaluated as antiviral agents. The compounds were prepared by condensation of 2-methylfuran-3-carbohydrazide, appropriate carbonyl compounds and sul
Discovery of potent inhibitors of Schistosoma mansoni NAD+ catabolizing enzyme
Jacques, Sylvain A.,Kuhn, Isabelle,Koniev, Oleksandr,Schuber, Francis,Lund, Frances E.,Wagner, Alain,Muller-Steffner, Héleìne,Kellenberger, Esther
, p. 3582 - 3592 (2015/05/05)
The blood fluke Schistosoma mansoni is the causative agent of the intestinal form of schistosomiasis (or bilharzia). Emergence of Schistosoma mansoni with reduced sensitivity to praziquantel, the drug currently used to treat this neglected disease, has underlined the need for development of new strategies to control schistosomiasis. Our ability to screen drug libraries for antischistosomal compounds has been hampered by the lack of validated S. mansoni targets. In the present work, we describe a virtual screening approach to identify inhibitors of S. mansoni NAD+ catabolizing enzyme (SmNACE), a receptor enzyme suspected to be involved in immune evasion by the parasite at the adult stage. Docking of commercial libraries into a homology model of the enzyme has led to the discovery of two in vitro micromolar inhibitors. Further structure-activity relationship studies have allowed a 3-log gain in potency, accompanied by a largely enhanced selectivity for the parasitic enzyme over the human homologue CD38.
Synthesis, experimental and theoretical study on the structure of some semicarbazides with potential antibacterial activity
Pitucha, Monika,Karczmarzyk, Zbigniew,Kosikowska, Urszula,Malm, Anna
scheme or table, p. 505 - 511 (2011/06/28)
A series of 1,4-disubstituted semicarbazide and 4,4'-bis[1-substituted semicarbazide]diphenyl-methane derivatives were synthesized to explore their antibacterial activity. New compounds were characterized by elemental analysis and spectroscopic data. In order to find the tautomeric equilibrium for the molecules energy calculations for each possible tautomeric form of model compound 2, and for the most antibacterially active compound 7 in the investigated series, were calculated for the gas phase at the RHF/SCF/6-31G** level of theory.
Synthesis of 3-substituted (6-[(e)-2-(1-benzofuran-2-yl)ethenyl][1,2,4] triazolo[3,4-b][1,3,4]thiadiazoles
Obushak, Mykola D.,Pokhodylo, Nazariy T.,Ostapiuk, Yuri V.,Matiychuk, Vasyl S.
, p. 136 - 143 (2008/12/23)
The reaction of (2E)-3-(1-benzofuran-2-yl)-2-propenoic acid with 4-amino-5-R-1,2,4-triazole-3-thioles has been investigated. It has been established, that 6-[(E)-2-(1-benzofuran-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1, 3,4] thiadiazole were formed as the result of heterocyclization.
