One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 556-08-1, Name is 4-Acetamidobenzoic acid, formurla is C9H9NO3. In a document, author is Magyari, Jozsef, introducing its new discovery. Computed Properties of C9H9NO3.
Interactions of Schiff base compounds and their coordination complexes with the drug cisplatin
There is a complex interplay between the structural and other physicochemical properties of new compounds and the molecules in living organisms. To understand the mechanism of the interactions at the molecular level, the correlations between the selected properties and their biological responses have to be examined. With this aim, in this paper, density functional theory (DFT) and LMP2 calculations were carried out for the 2-acetylpyridine-aminoguanidine ligand, L, and its copper(II) complexes containing different monoanionic ligands. In addition, several parameters, most frequently used for the prediction of drug-likeness of new compounds, were calculated. The influence of the compounds on the effectiveness of the reference chemotherapeutic drug cisplatin was determined in vitro, by comparison of their combination indices (CIs). The drug interactions between cisplatin and the earlier synthesized ligands L1 (bis(3-chloropyridazine-6-hydrazone)-2,6-diacetylpyridine) and L2 (bis(phthalazine-1-hydrazone)-2,6-diacetylpyridine) and their Co(III), Ni(II), Cu(II) and Zn(II) complexes, respectively, were also measured. The ligands L, L2, and L3, as well as their complexes, showed different interactions in combination with cisplatin from strong antagonism of L to strong synergism of 4-L1 and 4-L2. The experimental results and the calculated parameters were analyzed to evaluate their correlation with the measured interactions. The thermal stability of the L center dot 2HCl ligand and its four copper(II) complexes was determined and the thermal stability data were correlated to selected calculated molecular descriptors.
I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 556-08-1 help many people in the next few years. Computed Properties of C9H9NO3.
Reference:
Phthalazine – Wikipedia,
,Phthalazine | C8H6N2 – PubChem