Patberg, Marius; Isaak, Andreas; Fuesser, Friederike; Ortiz Zacarias, Natalia V.; Vinnenberg, Laura; Schulte, Janine; Michetti, Lucia; Grey, Lucie; van der Horst, Cas; Hundehege, Petra; Koch, Oliver; Heitman, Laura H.; Budde, Thomas; Junker, Anna published the artcile< Piperazine squaric acid diamides, a novel class of allosteric P2X7 receptor antagonists>, Quality Control of 112-63-0, the main research area is liver microsome piperazine P2X7 receptor physicochem property; Allosteric; Antagonists; P2X; P2X7 receptor; Squaric acid.
The P2X7 receptor (P2X7R) stands out among the purinergic receptors due to its strong involvement in the regulation of tumor growth and metastasis formation as well as in innate immune responses and afferent signal transmission. Numerous studies have pointed out the beneficial effects of P2X7R antagonism for the treatment of a variety of cancer types, inflammatory diseases, and chronic pain. Herein we describe the development of novel P2X7R antagonists, incorporating piperazine squaric diamides as a central element. Besides improving the antagonists potency from pIC50 values of 5.7-7.6, ADME properties (logD7.4 value, plasma protein binding, in vitro metabolic stability) of the generated compounds were investigated and optimized to provide novel P2X7R antagonists with drug-like properties. Furthermore, docking studies revealed the antagonists binding to the allosteric binding pocket in two distinct binding poses, depending on the substitution of the central piperazine moiety.
European Journal of Medicinal Chemistry published new progress about Diamides Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.
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