title: Synthesis and characterisation of 5-acyl-6,7-dihydrothieno[3,2-c]pyridine inhibitors of Hedgehog acyltransferase.
abstract: In this data article we describe synthetic and characterisation data for four members of the 5-acyl-6,7-dihydrothieno[3,2-c]pyridine (termed "RU-SKI") class of inhibitors of Hedgehog acyltransferase, including associated NMR spectra for final compounds. RU-SKI compounds were selected for synthesis based on their published high potencies against the enzyme target. RU-SKI 41 (9a), RU-SKI 43 (9b), RU-SKI 101 (9c), and RU-SKI 201 (9d) were profiled for activity in the related article "Click chemistry armed enzyme linked immunosorbent assay to measure palmitoylation by Hedgehog acyltransferase" (Lanyon-Hogg et al., 2015) [1]. (1)H NMR spectral data indicate different amide conformational ratios between the RU-SKI inhibitors, as has been observed in other 5-acyl-6,7-dihydrothieno[3,2-c]pyridines. The synthetic and characterisation data supplied in the current article provide validated access to the class of RU-SKI inhibitors.
authors.affiliation: Department of Chemistry, Imperial College London, SW7 2AZ, UK; Institute of Chemical Biology, Imperial College London, SW72AZ, UK.
authors.forename: Thomas
authors.initials: T
authors.lastname: Lanyon-Hogg
authors.affiliation: Department of Chemistry, Imperial College London, SW7 2AZ, UK; Institute of Chemical Biology, Imperial College London, SW72AZ, UK.
authors.forename: Naoko
authors.initials: N
authors.lastname: Masumoto
authors.affiliation: Department of Chemistry, Imperial College London, SW7 2AZ, UK; Institute of Chemical Biology, Imperial College London, SW72AZ, UK.
authors.forename: George
authors.initials: G
authors.lastname: Bodakh
authors.affiliation: Molecular Medicine Section, National Heart & Lung Institute, Imperial College London, London SW7 2AZ, UK.
authors.forename: Antonio D
authors.initials: AD
authors.lastname: Konitsiotis
authors.affiliation: Department of Chemistry, Imperial College London, SW7 2AZ, UK; Institute of Chemical Biology, Imperial College London, SW72AZ, UK.
authors.forename: Emmanuelle
authors.initials: E
authors.lastname: Thinon
authors.affiliation: Molecular Medicine Section, National Heart & Lung Institute, Imperial College London, London SW7 2AZ, UK.
authors.forename: Ursula R
authors.initials: UR
authors.lastname: Rodgers
authors.affiliation: Oxford Protein Production Facility UK, The Research Complex at Harwell, Rutherford Appleton Laboratory, Harwell Science & Innovation Centre, Harwell OX11 0FA, UK.
authors.forename: Raymond J
authors.initials: RJ
authors.lastname: Owens
authors.affiliation: Molecular Medicine Section, National Heart & Lung Institute, Imperial College London, London SW7 2AZ, UK.
authors.forename: Anthony I
authors.initials: AI
authors.lastname: Magee
authors.affiliation: Department of Chemistry, Imperial College London, SW7 2AZ, UK; Institute of Chemical Biology, Imperial College London, SW72AZ, UK.
authors.forename: Edward W
authors.initials: EW
authors.lastname: Tate
keywords: Conformation; Hedgehog acyltransferase; Inhibitors; Synthesis