Novel Benzoxazin-3-one Derivatives: Design, Synthesis, Molecular Modeling, Anti-HIV-1 and Integrase Inhibitory Assay was written by Safakish, Mahdieh;Hajimahdi, Zahra;Vahabpour, Rouhollah;Zabihollahi, Rezvan;Zarghi, Afshin. And the article was included in Medicinal Chemistry (Sharjah, United Arab Emirates) in 2020.Safety of 1-(Chloromethyl)-3-methylbenzene This article mentions the following:
Integrase is a validated drug target for anti-HIV-1 therapy. The second generation integrase inhibitors display 蟺-stacking interaction ability with 3′-end nucleotide as a streamlined metal chelating pharmacophore. In this study, we introduced benzoxazin-3-one scaffold for integrase inhibitory potential as bioisostere replacement strategy of 2-benzoxazolinone. Mol. modeling studies revealed that amide functionality alongside oxadiazole heteroatoms and sulfur in the second position of oxadiazole ring could mimic the metal chelating pharmacophore. The halobenzyl ring occupies hydrophobic site created by the cytidylate nucleotide (DC-16). The most potent and selective compound displayed 110渭M IC50 with a selectivity index of more than 2. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Safety of 1-(Chloromethyl)-3-methylbenzene).
1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Safety of 1-(Chloromethyl)-3-methylbenzene
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics