Synthesis and cannabinoid-1 receptor binding affinity of conformationally constrained analogs of taranabant |
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| Authors: | Ihor E Kopka Linus S Lin James P Jewell Thomas J Lanza Tung M Fong Chun-Pyn Shen Zhege J Lao Sookhee Ha Laurie G Castonguay Lex Van der Ploeg Mark T Goulet William K Hagmann |
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| Institution: | 1. Department of Medicinal Chemistry, Merck Research Laboratories, Rahway, NJ 07065, USA;2. Department of Metabolic Disorders, Merck Research Laboratories, Rahway, NJ 07065, USA;3. Department of Molecular Modeling, Merck Research Laboratories, Rahway, NJ 07065, USA |
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| Abstract: | The design, synthesis, and binding activity of ring constrained analogs of the acyclic cannabinoid-1 receptor (CB1R) inverse agonist taranabant 1 are described. The initial inspiration for these taranabant derivatives was its conformation 1a, determined by 1H NMR, X-ray, and molecular modeling. The constrained analogs were all much less potent than their acyclic parent structure. The results obtained are discussed in the context of a predicted binding of 1 to a homology model of CB1R. |
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