Zheng, Qinheng; Woehl, Jordan L.; Kitamura, Seiya; Santos-Martins, Diogo; Smedley, Christopher J.; Li, Gencheng; Forli, Stefano; Moses, John E.; Wolan, Dennis W.; Sharpless, K. Barry published the artcile< SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase>, Formula: C4H4ClNO2, the main research area is SuFEx agnostic covalent neutrophil elastase inhibitor crystal structure; SuFEx; agnostic; click chemistry; covalent inhibitor; elastase.
Sulfur fluoride exchange (SuFEx) has emerged as the new generation of click chem. We report here a SuFEx-enabled, agnostic approach for the discovery and optimization of covalent inhibitors of human neutrophil elastase (hNE). Evaluation of our ever-growing collection of SuFExable compounds toward various biol. assays unexpectedly revealed a selective and covalent hNE inhibitor: benzene-1,2-disulfonyl fluoride. Synthetic derivatization of the initial hit led to a more potent agent, 2-(fluorosulfonyl)phenyl fluorosulfate with IC50 0.24μM and greater than 833-fold selectivity over the homologous neutrophil serine protease, cathepsin G. The optimized, yet simple benzenoid probe only modified active hNE and not its denatured form.
Proceedings of the National Academy of Sciences of the United States of America published new progress about Crystal structure. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Formula: C4H4ClNO2.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics