1227619-22-8Relevant articles and documents
Reagent based DOS: A click, Click, Cyclize strategy to probe chemical space
Rolfe, Alan,Lushington, Gerald. H.,Hanson, Paul. R.
supporting information; experimental part, p. 2198 - 2203 (2010/07/04)
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.