Simple exploration of 16588-26-4

There is still a lot of research devoted to this compound(SMILES:BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl)HPLC of Formula: 16588-26-4, and with the development of science, more effects of this compound(16588-26-4) can be discovered.

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Structure-Activity Relationships for the Glutathione Conjugation of 2-Substituted 1-Chloro-4-nitrobenzenes by Rat Glutathione S-Transferase 4-4, published in 1996-03-31, which mentions a compound: 16588-26-4, Name is 3-Bromo-4-chloronitrobenzene, Molecular C6H3BrClNO2, HPLC of Formula: 16588-26-4.

In the present study structure-activity relationships (SAR’s) are described for the exptl. determined kinetic parameters (Km, kcat, and kcat/Km) of the GST 4-4-catalyzed reaction between GSH and 10 2-substituted 1-chloro-4-nitrobenzenes. Steric, lipophilic, and electronic parameters were correlated with the kinetic parameters. Moreover, charge distributions and several energy values were calculated for the substrates and the corresponding Meisenheimer intermediates with MeS- as a model nucleophile for the thiolate anion of GSH and used in the regression analyses. The correlations obtained were compared with the corresponding SAR’s for the base-catalyzed GSH conjugation reaction at pH 9.2. A high correlation coefficient was found between the kinetic parameter ks for the base-catalyzed reaction and the Hammett substituent constant (σp). Much lower correlation coefficients were obtained with kcat and σp and with kcat/Km and σp. Moreover, the reaction constant ρ was significantly higher for the base-catalyzed than for the enzyme-catalyzed reaction. Also, high correlations were found between the kinetic parameters and the charges on the p-nitro substituent in the substrates. When ks was plotted against these charges, a linear relation was found in which the slope was larger than the slope of a corresponding plot with kcat/Km. The Hammett σp can be divided into an inductive (F) and a resonance (R) component. With multiple regression between the kinetic parameters and F and R, higher correlation coefficients were obtained than with σp alone. The observations suggest that the transition states for the base-catalyzed and the GST 4-4-catalyzed GSH conjugation reaction are different. Moreover, single classical physicochem. and computer-calculated mol. parameters and combinations of them can be an alternative approach for examining SAR’s for spontaneous and GST-catalyzed GSH conjugation reactions.

There is still a lot of research devoted to this compound(SMILES:BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl)HPLC of Formula: 16588-26-4, and with the development of science, more effects of this compound(16588-26-4) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts