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  • Identification of spirocyclic piperidine-azetidine inverse agonists of the ghrelin receptor.

Identification of spirocyclic piperidine-azetidine inverse agonists of the ghrelin receptor.

Bioorganic & medicinal chemistry letters (2012-06-09)
Daniel W Kung, Steven B Coffey, Ryan M Jones, Shawn Cabral, Wenhua Jiao, Michael Fichtner, Philip A Carpino, Colin R Rose, Richard F Hank, Michael G Lopaze, Roger Swartz, Hou Tommy Chen, Zachary Hendsch, Bruce Posner, Christopher F Wielis, Brian Manning, Jeffrey Dubins, Ingrid A Stock, Sam Varma, Mary Campbell, Demetria DeBartola, Rachel Kosa-Maines, Stefanus J Steyn, Kim F McClure
ABSTRACT

The discovery of spirocyclic piperidine-azetidine inverse agonists of the ghrelin receptor is described. The characterization and redressing of the issues associated with these compounds is detailed. An efficient three-step synthesis and a binding assay were relied upon as the primary means of rapidly improving potency and ADMET properties for this class of inverse agonist compounds. Compound 10 n bearing distributed polarity in the form of an imidazo-thiazole acetamide and a phenyl triazole is a unit lower in logP and has significantly improved binding affinity compared to the hit molecule 10a, providing support for further optimization of this series of compounds.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Piperidine, SAJ first grade, ≥99.0%
Sigma-Aldrich
Piperidine, ReagentPlus®, 99%
Sigma-Aldrich
Piperidine, ≥99.5%, purified by redistillation
Sigma-Aldrich
Piperidine, biotech. grade, ≥99.5%
Sigma-Aldrich
Piperidine solution, suitable for peptide synthesis, 20% in DMF
Sigma-Aldrich
Azetidine, 98%