caa a22 4500 463185153 CHVBK 20180406164850.0 cr unu---uuuuu 170326e20071101xx s 000 0 eng 10.1007/s10870-007-9248-z doi (NATIONALLICENCE)springer-10.1007/s10870-007-9248-z X-ray Crystallographic Structures of Neuroprotective Pyrimidine Derivatives: (I) the Mesylate Salt of BW1003C87 and (II) Sipatrigine Base [Elektronische Daten] [Rex Palmer, Brian Potter, Michael Leach, Babur Chowdhry] Drugs based on 5-phenyl-2,4 diamino pyrimidine and 6-phenyl-1,2,4 triazine derivatives are well known for their effects on the central nervous system. The study presented here provides detailed crystal structures of two pyrimidine derivatives which have neuroprotective properties in models of both grey and white matter ischemia. Recently published studies suggest that the compounds lamotrigine (a triazine derivative), and the two pyrimidines BW1003C87 (I) and sipatrigine (II) mediate their primary invivo mode of action by inhibiting voltage-gated Na+ channels. The X-ray crystal structures will contribute valuable data for applications involving binding and modelling studies of the biological actions of these drugs. Graphical Abstract: X-ray crystallographic structures of neuroprotective pyrimidine derivatives: (I) the mesylate salt of BW1003C87 and (II) sipatrigine base Rex A. Palmer*, Brian S. Potter, Michael J. Leach and Babur Z. Chowdhry Surface representations, [20] are a useful tool with respect to considerations employed for the purposes of drug design. Shown here are the neuroprotective drug molecules (a) BW1003C87 and (b) Sipatrigine Base (BW619C89) derived from their solid state structures reported in this paper. The molecules are viewed edge on to ring B with the two adjacent Cl atoms uppermost on the left. Springer Science+Business Media, LLC, 2007 Central nervous system drugs nationallicence Pyrimidines nationallicence Lamotrigines nationallicence Voltage-gated Na+ channel inhibitors nationallicence Crystal structures and drug design nationallicence Palmer Rex School of Crystallography, Birkbeck College, University of London, Malet Street, WC1E 7HX, London, UK aut Potter Brian School of Crystallography, Birkbeck College, University of London, Malet Street, WC1E 7HX, London, UK aut Leach Michael School of Science, University of Greenwich (Medway Campus), Chatham Maritime, ME4 4TB, Kent, UK aut Chowdhry Babur School of Science, University of Greenwich (Medway Campus), Chatham Maritime, ME4 4TB, Kent, UK aut Journal of Chemical Crystallography Springer US; http://www.springer-ny.com 37/11(2007-11-01), 771-777 1074-1542 37:11<771 2007 37 10870 https://doi.org/10.1007/s10870-007-9248-z text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10870-007-9248-z text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Palmer Rex School of Crystallography, Birkbeck College, University of London, Malet Street, WC1E 7HX, London, UK aut NATIONALLICENCE 700 1- Potter Brian School of Crystallography, Birkbeck College, University of London, Malet Street, WC1E 7HX, London, UK aut NATIONALLICENCE 700 1- Leach Michael School of Science, University of Greenwich (Medway Campus), Chatham Maritime, ME4 4TB, Kent, UK aut NATIONALLICENCE 700 1- Chowdhry Babur School of Science, University of Greenwich (Medway Campus), Chatham Maritime, ME4 4TB, Kent, UK aut NATIONALLICENCE 773 0- Journal of Chemical Crystallography Springer US; http://www.springer-ny.com 37/11(2007-11-01), 771-777 1074-1542 37:11<771 2007 37 10870 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer