From Synthetic Simplified Marine Metabolite Analogues to New Selective Allosteric Inhibitor of Aurora B Kinase was written by Juillet, Charlotte;Ermolenko, Ludmila;Boyarskaya, Dina;Baratte, Blandine;Josselin, Beatrice;Nedev, Hristo;Bach, Stephane;Iorga, Bogdan I.;Bignon, Jerome;Ruchaud, Sandrine;Al-Mourabit, Ali. And the article was included in Journal of Medicinal Chemistry in 2021.Computed Properties of C7H5N3O2 This article mentions the following:
Significant inhibition of Aurora B was achieved by the synthesis of simplified fragments of benzosceptrins and oroidin belonging to the marine pyrrole-2-aminoimidazoles metabolites isolated from sponges. Evaluation of kinase inhibition enabled the discovery of a synthetically accessible rigid acetylenic structural analog EL-228, whose structure could be optimized into the potent CJ2-150. Here we present the synthesis of new inhibitors of Aurora B kinase, which is an important target for cancer therapy through mitosis regulation. The biol. oriented synthesis yielded several nanomolar inhibitors. The optimized compound CJ2-150 showed a non-ATP competitive allosteric mode of action in a mixed-type inhibition for Aurora B kinase. Mol. docking identified a probable binding mode in the allosteric site “F” and highlighted the key interactions with the protein. We describe the improvement of the inhibitory potency and specificity of the novel scaffold as well as the characterization of the mechanism of action. In the experiment, the researchers used many compounds, for example, 6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3Computed Properties of C7H5N3O2).
6-Nitroimidazo[1,2-a]pyridine (cas: 25045-82-3) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Computed Properties of C7H5N3O2
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem