title: Identification and structural determination of a potent P-selectin inhibitor.
abstract: Small quantities of a potent P-selectin inhibitor, 2 (IC50 = 0.2 microM), were isolated and an initial structure proposed based on 1D proton NMR. A reterosynthetic analysis of the proposed structure led us to a total synthesis of 2. NMR studies using the 2-D homo-TOCSY and NOESY and 2-D hetero-HMQC helped to confirm the structure of 2.
authors: Department of Chemical Sciences, Wyeth Research, Cambridge, MA 02140, USA. nkaila@genetics.com
authors: N
authors: N
authors: Kaila
authors: G Y
authors: GY
authors: Xu
authors: R T
authors: RT
authors: Camphausen
authors: Y
authors: Y
authors: Xiang
mesh_terms: D000818:Animals; D000893:Anti-Inflammatory Agents; D020650:Combinatorial Chemistry Techniques; D004797:Enzyme-Linked Immunosorbent Assay; D006801:Humans; D020128:Inhibitory Concentration 50; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008562:Membrane Glycoproteins / Q000037:antagonists & inhibitors*; D015394:Molecular Structure; D019007:P-Selectin / Q000187:drug effects* / Q000378:metabolism; D011993:Recombinant Fusion Proteins; D013329:Structure-Activity Relationship
chemical_list: D000893:Anti-Inflammatory Agents; D008024:Ligands; D008562:Membrane Glycoproteins; D019007:P-Selectin; C084882:P-selectin ligand protein; D011993:Recombinant Fusion Proteins