This meeting is sponsored by Advanced Chemistry Development, Inc. (ACD/Labs)
“ACD/Lab’s Spectrus NMR Workbook: A Toolkit for Pharma’s NMR Spectroscopist”
Dr. Janet Caceres-Cortes
Principal Scientist, DAS NMR, Bristol-Myers Squibb
Route 206 & Provinceline Road
Princeton, NJ 08543-4000
“Current Developments at ACD/Labs in Tools to Assist the NMR Spectroscopist”
Product Manager – NMR, Advanced Chemistry Development, Inc.
8 King Street East, Suite 107
Toronto, ON Canada M5C 1B5
- 6:00 pm Dinner
7:00 pm Seminar
Fuji Japanese Sushi & Seafood
1345 US Rt 1, North Brunswick, NJ 08902
Please note that Pathmark is no more.
Fuji is on US 1 Southbound.
Dinner cost: No charge, thanks to donation by ACD/Labs.
Abstract for Talk I:
The potential role of metabolites in drug efficacy and safety underscores the importance of detecting and characterizing drug metabolites notwithstanding the often complex metabolic profiles and generation of numerous metabolites of varying concentrations from the drugs of interest. Thus, metabolite identification (ID) studies are an integral part of pre-clinical and clinical drug development activities and in many instances rely on Nuclear Magnetic Resonance (NMR) spectroscopy.
ACD/NMR Workbook provides an array of tools allowing processing of 1D and 2D data. It allows the NMR spectroscopist to perform structure elucidation and identify metabolite modification sites while recording their spectral assignments. A useful practice in metabolite ID is to compare the structural information attained through the analysis of chemical shifts, coupling constants, peak integrations and correlations for the isolated metabolite with those of the parent compound. This is not always a facile endeavor since the quality of the metabolite NMR spectra can be challenged by sensitivity, dynamic range, and matrix interferences. ACD/NMR Workbook has a number of features that facilitate this comparison. This presentation will highlight the new and enhanced features of Spectrus/NMR Workbook over ACD12/Workbook and its utility for metabolite ID and structure elucidation.