title: Reagent based DOS: a "Click, Click, Cyclize" strategy to probe chemical space.
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.
authors.affiliation: Department of Chemistry, University of Kansas, 1251 Wescoe Hall Drive, Lawrence, KS 66045-7582, USA.
authors.forename: Alan
authors.initials: A
authors.lastname: Rolfe
authors.forename: Gerald H
authors.initials: GH
authors.lastname: Lushington
authors.forename: Paul R
authors.initials: PR
authors.lastname: Hanson
mesh_terms: D003500:Cyclization; D006571:Heterocyclic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D007202:Indicators and Reagents / Q000138:chemical synthesis / Q000737:chemistry; D015394:Molecular Structure; D013449:Sulfonamides / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D006571:Heterocyclic Compounds; D007202:Indicators and Reagents; D013449:Sulfonamides
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