期刊
JOURNAL OF MEDICINAL CHEMISTRY
卷 57, 期 22, 页码 9220-9231出版社
AMER CHEMICAL SOC
DOI: 10.1021/jm500734a
关键词
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资金
- NCCAM/NIH [RC2 AT005899, P50 AT00155, R44 AT004534]
- NIAID/NIH [R21 AI093919]
- United States Pharmacopeial Convention as part of the USP Global Research Fellowship Program
- NIH - NIGMS/NIH [P41 GM068944]
In any biomedical and chemical context, a truthful description of chemical constitution requires coverage of both structure and purity. This qualification affects all drug molecules, regardless of development stage (early discovery to approved drug) and source (natural product or synthetic). Purity assessment is particularly critical in discovery programs and whenever chemistry is linked with biological and/or therapeutic outcome. Compared with chromatography and elemental analysis, quantitative NMR (qNMR) uses nearly universal detection and provides a versatile and orthogonal means of purity evaluation. Absolute qNMR with flexible calibration captures analytes that frequently escape detection (water, sorbents). Widely accepted structural NMR workflows require minimal or no adjustments to become practical 1H qNMR (qHNMR) procedures with simultaneous qualitative and (absolute) quantitative capability. This study reviews underlying concepts, provides a framework for standard qHNMR purity assays, and shows how adequate accuracy and precision are achieved for the intended use of the material.
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