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Reagent based DOS: A "Click, Click, Cyclize" strategy to probe chemical space
Rolfe, Alan Lushington, Gerald H. Hanson, Paul R.
Rolfe, Alan
Lushington, Gerald H.
Hanson, Paul R.
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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.
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2010-05-07
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Royal Society of Chemistry
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Rolfe_2010.pdf
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Rolfe, A., Lushington, G. H., & Hanson, P. R. (2010). Reagent based DOS: A “Click, Click, Cyclize” strategy to probe chemical space. Organic & Biomolecular Chemistry, 8(9), 2198–2203. http://doi.org/10.1039/b927161a