药用化合物合成中的自动化流动化学最新进展

IF 2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Flow Chemistry Pub Date : 2023-11-06 DOI:10.1007/s41981-023-00285-x
Jiashu Wu, Xingxing Yang, Yourong Pan, Tao Zuo, Zuozhou Ning, Chengxi Li, Zhiguo Zhang
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引用次数: 0

摘要

用于药物化合物合成的自动化流程化学的最新发展引起了广泛关注。自动化合成是化学领域的前沿技术,它提供了高效、快速和可重复的合成方法,大大缩短了反应时间并降低了成本。在药物化合物合成领域,自动化流动化学具有独特的重要性。利用流动化学,反应可以在连续流动的条件下进行,从而实现精确的反应控制、更高的产量和更高的产品纯度。此外,自动化流动合成克服了传统批量合成中遇到的一些挑战,如减少化学废物的产生、优化反应条件和提高操作安全性。本综述重点介绍了各种药物化合物(包括大型生物制药分子、小型有机药物分子和碳水化合物)的自动化流式合成的最新进展。内容包括自动迭代合成和使用机器学习提高合成效率。此外,它还探讨了高通量合成和筛选技术的实际应用。图解摘要 自动化流程合成的发展不断突破化学反应的新挑战。固相流式合成在合成大型生物制药分子方面得到了很好的发展;固定化的支持物有助于用简单的溶剂清洗取代繁琐的分离和纯化。此外,基于流动的途径还能为自动化提供便利。高通量合成与在线分析相结合,既能实现高效生产,又能进行精确监测。人工智能可应用于自我优化的合成过程。人工智能可以应用于自我优化的合成过程。基于算法的软件可以根据文献中公布的以往反应建立学习模型,快速计算和优化不足的反应。然后,连接的机械臂可自动设置为执行优化反应。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Recent developments of automated flow chemistry in pharmaceutical compounds synthesis

Recent developments in automated flow chemistry for pharmaceutical compound synthesis have garnered significant attention. Automation in synthesis represents a cutting-edge frontier in the field of chemistry, offering highly efficient, rapid, and reproducible synthetic methods that significantly shorten reaction time and reduce costs. In the realm of pharmaceutical compound synthesis, automated flow chemistry demonstrates unique importance. By utilizing flow chemistry, reactions can be performed under continuous flow conditions, enabling precise reaction control, higher yields, and increased product purity. Additionally, automated flow synthesis overcomes several challenges encountered in traditional batch synthesis, such as decreased generation of chemical waste, optimization of reaction conditions, and enhanced operational safety. This review highlights the recent developments in automated flow synthesis of various pharmaceutical compounds, including large biopharmaceutical molecules, small organic drug molecules, and carbohydrates. It covers automated iterative synthesis and the use of machine learning to enhance synthesis efficiency. Furthermore, it explores the practical application of high-throughput synthesis and screening technologies. Finally, the review offers concise perspectives on potential future developments in the field.

Graphical abstract

The development of automated flow synthesis kept breaking through new challenges for chemical reactions. Especially with the increasing demand for fast and efficient synthesis of therapeutic compounds, automated systems built a solid foundation for pharmaceutical innovation.

Solid-phase flow synthesis has been well-developed in the synthesis of large biopharmaceutical molecules; the immobilized support helps replace tedious separation and purification with a simple solvent wash. Additionally, flow-based pathways could provide convenience for automation.

High-throughput synthesis with in-line analysis offers both high-efficiency production and accurate monitoring. Therefore, this combination could be easily applied to rapid screening processes for building a large library, enhancing the performance of machine learning in reaction, and product prediction.

Artificial intelligence can be applied to self-optimized synthesis processes. Algorithm-based software could rapidly calculate and optimize insufficient reactions with a learning model built on past reactions posted in the literature. The connected robotic arm can then be automatically set to perform the optimized reaction.

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来源期刊
Journal of Flow Chemistry
Journal of Flow Chemistry CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
6.40
自引率
3.70%
发文量
29
审稿时长
>12 weeks
期刊介绍: The main focus of the journal is flow chemistry in inorganic, organic, analytical and process chemistry in the academic research as well as in applied research and development in the pharmaceutical, agrochemical, fine-chemical, petro- chemical, fragrance industry.
期刊最新文献
Rapid and practical synthesis of N-protected amino ketones in continuous flow via pre-deprotonation protocol Expedited access to β-lactams via a telescoped three-component Staudinger reaction in flow Efficient “One-Column” grignard generation and reaction in continuous flow Two deep learning methods in comparison to characterize droplet sizes in emulsification flow processes Enhanced emulsification process between viscous liquids in an ultrasonic capillary microreactor: mechanism analysis and application in nano-emulsion preparation
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