Reagent based DOS: A “Click, Click, Cyclize” strategy to probe chemical space?

Organic & Biomolecular Chemistry Pub Date: 2010-03-16 DOI: 10.1039/B927161A

Abstract

The synthesis of small organic molecules as probes for discovering new therapeutic agents has been an important aspect of chemical-biology. Herein we report a reagent-based, diversity-oriented synthetic (DOS) strategy to probe chemical and biological space via a “Click, Click, Cyclize” protocol. In this DOS approach, three sulfonamide linchpins underwent cyclization protocols with a variety of reagents to yield a collection of structurally diverse S-heterocycles. In silico analysis is utilized to evaluate the diversity of the compound collection against chemical space (PC analysis), shape space (PMI) and polar surface area (PSA) calculations.

Graphical abstract: Reagent based DOS: A “Click, Click, Cyclize” strategy to probe chemical space
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