Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 2706-56-1, Name is 2-Pyridylethylamine, SMILES is C1=C(CCN)N=CC=C1, belongs to pyridine-derivatives compound. In a document, author is Goswami, Shyam, introduce the new discover, Computed Properties of C7H10N2.
Structure-property correlation in gallic acid and 4-cyanopyridine cocrystal and binding studies with drug efflux pump in bacteria
This work focuses on the self-assembled gallic acid (GA) and 4-cyanopyridine (4-CNpy) (1:1) adduct, GACNpy (1 ), constructed from various non-covalent interactions. The cocrystal was characterized by X-ray crystallography, FT-IR and NMR spectroscopy. In the crystal lattice of 1 , GA and 4-CNpy molecules are connected with each other through O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonding interactions involving hydroxyl groups, carboxylic acid groups and 4-CNpy molecules to form a 3-D supramolecular assembly. QTAIM and NCI analyses of the optimized geometries confirm the existence of hydrogen bonds between the molecules. Further, calculations on hydrogen bonding motifs indicate that proton transfer from -OH (carboxylic acid) to N (pyridine base) is unfavorable due to high activation energy barrier. Special attention was paid to the in vitro antioxidant and antibacterial studies of 1 . Our findings indicate that the GA-CNpy adduct, in its binary form, can enhance these properties to a greater extent relative to their individual counter parts. The mechanism of antibacterial activity in molecular docking study also suggests inhibitory role of the cocrystal against drug efflux pump AcrB in E. coli . (c) 2020 Elsevier B.V. All rights reserved.
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 2706-56-1 is helpful to your research. Computed Properties of C7H10N2.
Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem