Troelsen, Nikolaj S.; Shanina, Elena; Gonzalez-Romero, Diego; Dankova, Daniela; Jensen, Ida S. A.; Sniady, Katarzyna J.; Nami, Faranak; Zhang, Hengxi; Rademacher, Christoph; Cuenda, Ana; Gotfredsen, Charlotte H.; Clausen, Mads H. published the artcile< The 3F Library: Fluorinated Fsp3-Rich Fragments for Expeditious 19F NMR Based Screening>, HPLC of Formula: 27841-33-4, the main research area is fluorine NMR screening drug discovery trifluoromethylated natural product; trifluoromethylated natural product library synthesis drug discovery; NMR spectroscopy; drug discovery; fluorine; molecular diversity; synthesis design.
Fragment-based drug discovery (FBDD) is a popular method in academia and the pharmaceutical industry for the discovery of early lead candidates. Despite its wide-spread use, the approach still suffers from laborious screening workflows and a limited diversity in the fragments applied. Presented here is the design, synthesis, and biol. evaluation of the first fragment library specifically tailored to tackle both these challenges. The 3F library of 115 fluorinated, Fsp3-rich fragments is shape diverse and natural-product-like with desirable physicochem. properties. The library is perfectly suited for rapid and efficient screening by NMR spectroscopy in a two-stage workflow of 19F NMR and subsequent 1H NMR methods. Hits against four diverse protein targets are widely distributed among the fragment scaffolds in the 3F library and a 67% validation rate was achieved using secondary assays. This collection is the first synthetic fragment library tailor-made for 19F NMR screening and the results demonstrate that the approach should find broad application in the FBDD community.
Angewandte Chemie, International Edition published new progress about [2+2] Cycloaddition reaction. 27841-33-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H12N2O2, HPLC of Formula: 27841-33-4.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics