Discovery of Novel Indoline Cholesterol Ester Transfer Protein Inhibitors (CETP) through a Structure-Guided Approach was written by Wilson, Jonathan E.;Kurukulasuriya, Ravi;Reibarkh, Mikhail;Reiter, Maud;Zwicker, Aaron;Zhao, Kake;Zhang, Fengqi;Anand, Rajan;Colandrea, Vincent J.;Cumiskey, Anne-Marie;Crespo, Alejandro;Duffy, Ruth A.;Murphy, Beth Ann;Mitra, Kaushik;Johns, Douglas G.;Duffy, Joseph L.;Vachal, Petr. And the article was included in ACS Medicinal Chemistry Letters in 2016.Formula: C8H7BrO2 This article mentions the following:
Using the collective body of known (CETP) inhibitors as inspiration for design, a structurally novel series of tetrahydroquinoxaline CETP inhibitors were discovered. An exemplar from this series, compound I, displayed potent in vitro CETP inhibition and was efficacious in a transgenic cynomologus-CETP mouse HDL PD (pharmacodynamic) assay. However, an undesirable metabolic profile and chem. instability hampered further development of the series. A three-dimensional structure of tetrahydroquinoxaline inhibitor was proposed from 1H NMR structural studies, and this model was then used in silico for the design of a new class of compounds based upon an indoline scaffold. This work resulted in the discovery of compound II, which displayed potent in vitro CETP inhibition, a favorable PK-PD profile relative to tetrahydroquinoxaline I, and dose-dependent efficacy in the transgenic cynomologus-CETP mouse HDL PD assay. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8Formula: C8H7BrO2).
3-(Bromomethyl)benzoic acid (cas: 6515-58-8) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Formula: C8H7BrO2
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary