新一代核磁共振流管优化小体积核磁共振反应监测在临床前药物发现

IF 3.9 3区医学 Q2 CHEMISTRY, MEDICINAL

ACS Medicinal Chemistry Letters Pub Date : 2026-10-08 Epub Date: 2026-09-21 DOI:10.1021/acsmedchemlett.6c00388

Kathleen A. Farley, David Foley, Robert Krull, Martin Hoffman, Anna Codina, Peter Dorff, Christopher W. am Ende, Ormacinda White, Stephen W. Wright

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引用次数: 0

摘要

我们开发了一个3毫米的核磁共振流管，可以插入到一个5毫米的核磁共振探头，将一个高场核磁共振光谱仪转换成一个最小反应体积为2毫升的反应监测系统。该系统使用一个标准的LC泵将反应混合物从一个集成加热块中的反应瓶中流动到磁铁的中心进行检测，然后将混合物返回到小瓶中。核磁共振流管的温度范围为- 20至120°C， theNMR仪器可以在几分钟内从核磁共振管切换到流管模式。我们报告使用这种流动核磁共振小体积系统来监测两种化学反应的进展，这些化学反应无法通过更常见的分析技术进行研究。

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Next Generation NMR Flow Tube Optimized for Small Volume NMR Reaction Monitoring in Preclinical Drug Discovery

We developed a 3 mm NMR flow tube that can be inserted into a 5 mm NMR probe converting a high field NMR spectrometer into a reaction monitoring system with a minimum reaction volume of 2 mL. The system uses a standard LC pump to flow the reaction mixture from a reaction vial in an integrated heating block to the center of the magnet for detection before returning the mixture back to the vial. The NMR flow tube has a temperature range of −20 to 120 °C and the NMR instrument can be switched from NMR tubes to the flow tube mode in a few minutes. We report the use of this flow NMR small volume system to monitor the progress of two chemical reactions that resisted study by more common analytical techniques.

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来源期刊

ACS Medicinal Chemistry Letters CHEMISTRY, MEDICINAL-

CiteScore

7.30

自引率

2.40%

发文量

328

审稿时长

1 months

期刊介绍： ACS Medicinal Chemistry Letters is interested in receiving manuscripts that discuss various aspects of medicinal chemistry. The journal will publish studies that pertain to a broad range of subject matter, including compound design and optimization, biological evaluation, drug delivery, imaging agents, and pharmacology of both small and large bioactive molecules. Specific areas include but are not limited to: Identification, synthesis, and optimization of lead biologically active molecules and drugs (small molecules and biologics) Biological characterization of new molecular entities in the context of drug discovery Computational, cheminformatics, and structural studies for the identification or SAR analysis of bioactive molecules, ligands and their targets, etc. Novel and improved methodologies, including radiation biochemistry, with broad application to medicinal chemistry Discovery technologies for biologically active molecules from both synthetic and natural (plant and other) sources Pharmacokinetic/pharmacodynamic studies that address mechanisms underlying drug disposition and response Pharmacogenetic and pharmacogenomic studies used to enhance drug design and the translation of medicinal chemistry into the clinic Mechanistic drug metabolism and regulation of metabolic enzyme gene expression Chemistry patents relevant to the medicinal chemistry field.