Development of Carborane-Based Benzothiazole Analogues as Cannabinoid Receptor Type 2 (CB(2)R) Ligands

开发基于碳硼烷的苯并噻唑类似物作为大麻素受体2型(CB(2)R)配体

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Abstract

The cannabinoid receptor type 2 (CB(2)R) is upregulated in the brain under pathological conditions. To distinguish between the healthy and disease states, Positron Emission Tomography (PET), as a noninvasive imaging technique, is employed, for which suitable highly affine and selective CB(2)R radioligands are required. The benzothiazole scaffold is a promising core structure that has been modified with different substituents. Recently, we have reported naphthyridinone- and thiazole-based carborane-substituted CB(2)R ligands and investigated the first carborane-based CB(2)R radiotracer [ (18) F]-LUZ5- d (8) in preliminary biological tests. Carboranes are cluster compounds that are used as hydrophobic surrogates in drug design. We here report the synthesis, characterization, binding affinity data and docking results of three promising isomeric carborane-substituted benzothiazole-based CB(2)R ligands. The ortho-, meta- and para-carborane derivatives exhibit a nanomolar affinity and high selectivity toward CB(2)R, with the meta-carborane derivative being the most affine compound experimentally and in docking studies.

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