Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, 4233-33-4, Name is 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione, SMILES is O=C1N=NC(=O)N1C1=CC=CC=C1, belongs to pyrazoles-derivatives compound. In a document, author is Elkanzi, Nadia A. A., introduce the new discover, Computed Properties of C8H5N3O2.
Synthesis, in vitro evaluation and molecular docking of new pyrazole derivatives bearing 1,5,10,10a-tetrahydrobenzo[g]quinoline-3-carbonitrile moiety as potent antibacterial agents
In the current study, a new series of pyrazole derivatives4a-d,5a-dand6a-dpossessing 1,5,10,10a-tetrahydrobenzo[g]quinoline-3-carbonitrile moiety were synthesized by treating chalcones (3a-d) with hydrazine monohydrate/acetic anhydride, hydrazine monohydrate/formic acid and 4-chlorophenylhydrazine in ethanol, respectively. These reactions proceeded smoothly with satisfactory yields, and the obtained compounds were characterized using FTIR,H-1-NMR,C-13-NMR and elemental analyses. All the synthesized compounds were subjected to antibacterial activity againstBacillus subtilis,Staphylococcus aureus,Escherichia coli, andPseudomonas aeruginosabacteria and molecular docking studies. The antibacterial studies showed that all compounds exhibited good to excellent antibacterial activity against the tested bacterial strains. The structure-activity relationship studies revealed that the compounds3b,4b,5band6bbearing a chlorine atom at the para position of the phenyl group attached to pyrazole moiety in displayed the highest antibacterial activity against all the tested bacteria exceeding the standard drug ampicillin. Moreover, the molecular docking results showed that the highest scores docking have been obtained from the most active antibacterial compounds3b,3d,4b,4d,4c,5band6bwith good energy binding score within the active site of topoisomerase II DNA gyrase enzymes (PDB ID: 2XCS), suggesting that they can act by the inhibition of DNA replication. These compounds are auspicious candidates as antibacterial agents that would deserve further investigations.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 4233-33-4 is helpful to your research. Computed Properties of C8H5N3O2.
Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics