title: Simultaneous characterization of a mixture of fluorochemicals using three-dimensional 19F-1H heteronuclear TOCSY filtered/edited NMR experiments.
abstract: Heteronuclear 19F-1H cross-polarization can be used effectively as a tool for both spectral filtering and editing in the NMR analysis of the increasing number of fluorine-containing compounds encountered in drug discovery. Combined with LC-MS, three-dimensional 19F-1H heteronuclear TOCSY filtered experiments based on this approach have enabled the simultaneous identification of a mixture of closely related dexamethasone derivatives without the need for isolation.
authors.affiliation: Discovery Chemistry Research and Technologies and Drug Disposition, Eli Lilly and Company, Indianapolis, IN 46285, USA. hu_haitao@lilly.com
authors.forename: Haitao
authors.initials: H
authors.lastname: Hu
authors.forename: Palaniappan
authors.initials: P
authors.lastname: Kulanthaivel
authors.forename: Krish
authors.initials: K
authors.lastname: Krishnamurthy
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods; D003907:Dexamethasone / Q000737:chemistry; D005449:Fluorenes / Q000737:chemistry*; D005462:Fluorine Radioisotopes / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy / Q000295:instrumentation* / Q000379:methods*; D013058:Mass Spectrometry; D008956:Models, Chemical; D008968:Molecular Conformation; D015394:Molecular Structure; D013056:Spectrophotometry, Ultraviolet
chemical_list: D005449:Fluorenes; D005462:Fluorine Radioisotopes; C041509:fluorene; D003907:Dexamethasone