Organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. 104-86-9, formula is C7H8ClN, Name is (4-Chlorophenyl)methanamine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Quality Control of 104-86-9.
Gholivand, Khodayar;Barzegari, Azam;Mohammadpanah, Fahimeh;Yaghoubi, Rouhollah;Roohzadeh, Roohollah;Ebrahimi Valmoozi, Ali Asghar research published 《 Synthesis, characterized, QSAR studies and molecular docking of some phosphonates as COVID-19 inhibitors》, the research content is summarized as follows. The global coronavirus (COVID-19) outbreak has prompted scientists to discover a cure for the disease. So far, phosphorus-based drugs have been proposed. These drugs have good inhibitory activity against the main protease (Mpro). Hence, in order to introduce a group of inhibitors the coronavirus, 51 compounds containing different mono, bis, and tetra phosphonates as Remdesivir derivatives, 32 of which are new, were synthesized and characterized by 31P, 13C, and 1H NMR and IR spectroscopy. Their biol. activities were also investigated by Mol. Docking, QSAR, and Pharmacophore. Van der Waals, hydrogen bonding, and hydrophobic interactions were studied for all compounds as well as binding energy (ΔG, Kcal/mol) and the inhibitory constant Ki (μM) obtained by Mol. Docking. The results showed that the topol. of the ligands and the change of the different groups attached to them can be effective in the placement position in the active site of the enzyme (Glu 166 and Gln 189). And bisphosphonates have a high interaction tendency with Mpro COVID-19. Compound L24 was identified as the best inhibitor with the -6.38 kcal/mol binding energy. The quant. structure-activity relationship (QSAR) findings demonstrated that the polarity and topol. of mols. in all phosphonate derivatives were important parameters affecting the effecting on the binding energy and inhibitory ability of compounds The DFT and pharmacophore results are in good accordance with those of QSAR and mol. docking. This study can be helpful to gain a better understanding of the interactions between the Mpro of virus and its inhibitors in order to attain drugs with more effect on coronavirus (COVID-19).
Quality Control of 104-86-9, 4-Chlorobenzylamine is a useful research compound. Its molecular formula is C7H8ClN and its molecular weight is 141.6 g/mol. The purity is usually 95%.
4-Chlorobenzylamine is a reactant in the environmentally friendly synthesis of pyrroles.
4-Chlorobenzylamine is a chemical that is used as an intermediate in the synthesis of other compounds. It has low bioavailability, which may be due to its reactive site. The chemical can be characterized using nmr spectra and potent inhibitory activity. 4-Chlorobenzylamine has been found to react with nitrogen atoms, and this reaction is highly acidic. FT-IR spectroscopy can also be used to characterize this compound. Intermolecular hydrogen bonding and hydroxyl group are two of the major interactions of 4-chlorobenzylamine with other molecules. This chemical reacts with serine protease, glyoxal, and other substances in a manner that depends on the molecule’s structure., 104-86-9.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics