Issue 9, 2010
From the journal:

Organic & Biomolecular Chemistry

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

Alan Rolfe,ab   Gerald. H. Lushingtonbc  and  Paul. R. Hanson*ab  

* Corresponding authors

a Department of Chemistry, University of Kansas, 1251 Wescoe Hall Drive, Lawrence, KS 66045-7582
E-mail: phanson@ku.edu
Fax: +1 785-864-3094
Tel: +1 785-864-5396

b The University of Kansas Center for Chemical Methodologies and Library Development, 2121 Simons Drive, Structural Biology Center, West Campus, Lawrence, KS
Fax: +1 785-864-8179
Tel: +1 785-864-6115

c Molecular Graphics & Modeling Laboratory, University of Kansas, 1251 Wescoe Hall Dr, Lawrence KS 66045
Fax: +1 785-864-5326
Tel: +1 785-864-1166

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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Article information

DOI
https://doi.org/10.1039/B927161A
Article type
Paper
Submitted
05 Jan 2010
Accepted
15 Feb 2010
First published
16 Mar 2010

Org. Biomol. Chem., 2010,8, 2198-2203

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

A. Rolfe, Gerald. H. Lushington and Paul. R. Hanson, Org. Biomol. Chem., 2010, 8, 2198 DOI: 10.1039/B927161A

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