Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors was written by Rohrig, Ute F.;Majjigapu, Somi Reddy;Reynaud, Aline;Pojer, Florence;Dilek, Nahzli;Reichenbach, Patrick;Ascencao, Kelly;Irving, Melita;Coukos, George;Vogel, Pierre;Michielin, Olivier;Zoete, Vincent. And the article was included in Journal of Medicinal Chemistry in 2021.Quality Control of 4-Chloro-2-iodo-1-nitrobenzene This article mentions the following:
The heme enzyme indoleamine 2,3-dioxygenase 1 (IDO1) plays an essential role in immunity, neuronal function, and aging through catalysis of the rate-limiting step in the kynurenine pathway of tryptophan metabolism Many IDO1 inhibitors with different chemotypes have been developed, mainly targeted for use in anti-cancer immunotherapy. Lead optimization of direct heme iron-binding inhibitors has proven difficult due to the remarkable selectivity and sensitivity of the heme-ligand interactions. Here, we present exptl. data for a set of closely related small azole compounds with more than 4 orders of magnitude differences in their inhibitory activities, ranging from millimolar to nanomolar levels. We investigate and rationalize their activities based on structural data, mol. dynamics simulations, and d. functional theory calculations Our results not only expand the presently known four confirmed chemotypes of sub-micromolar heme binding IDO1 inhibitors by two addnl. scaffolds but also provide a model to predict the activities of novel scaffolds. In the experiment, the researchers used many compounds, for example, 4-Chloro-2-iodo-1-nitrobenzene (cas: 160938-18-1Quality Control of 4-Chloro-2-iodo-1-nitrobenzene).
4-Chloro-2-iodo-1-nitrobenzene (cas: 160938-18-1) belongs to iodide derivatives. Iodide-containing intermediates are common in organic synthesis, because of the easy formation and cleavage of the C–I bond. The C–I bond is the weakest of the carbon–halogen bonds. These bond strengths correlate with the electronegativity of the halogen, decreasing in the order F > Cl > Br > I.Quality Control of 4-Chloro-2-iodo-1-nitrobenzene
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com