Ask for this Customer Poster from SMASH 2008 in Sante Fe, NM
Cap and CASE – Chasing Structures in the Drug Delivery Process
Ruth Boetzel1, Anna Codina2 & Katherine Mackay1,2
1. Pfizer Global R & D, Sandwich, Kent CT13 9NJ, UK
2. Heriot-Watt University, Edinburgh, UK
The identification and characterisation of impurities and degradants is an essential step in delivering new drugs to the market safely. This often involves working with small and difficult to obtain amounts of materials, sometimes in the ug range, requiring careful consideration of acquisition conditions and equipment. We have used a combination of MS, capillary (cap) NMR  for high mass sensitivity due to the incorporation of microcoils, and computer-assisted structure elucidation (CASE)  to identify families of structures of drug products containing only a limited number of protons. Cap NMR is ideal for this scenario because it allows the collection of all data sets in one go without having to change spectrometers or sample conditions. For CASE it is important to evaluate how to best use the software (Structure Elucidator ), depending on the amount of material available since the degree of interactivity and user input increases as less spectral information is available.
1. F. C. Schroeder & M. Gronquist, Angew. Chem. Int. Ed., 45, 7122-7131 (2006).
2. M. E. Elyashberg, A. J. Williams & G.E. Martin. Progr. NMR Spectr., 53, 1-104(2008).
3. ACD Labs (1996-2007).