Scaffolding-Induced Property Modulation of Chemical Space.,ACS Combinatorial Science

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Scaffolding-Induced Property Modulation of Chemical Space.
ACS Combinatorial Science Pub Date : 2020-05-22 , DOI: 10.1021/acscombsci.0c00072
Jingyao Li ₁ , Vincenzo Di Lorenzo _{1,

2} , Pravin Patil ₁ , Angel J Ruiz-Moreno _{1,

3} , Katarzyna Kurpiewska ₄ , Justyna Kalinowska-Tłuścik ₄ , Marco A Velasco-Velázquez ₃ , Alexander Dömling ₁

Affiliation

Physicochemical property switching of chemical space is of great importance for optimization of compounds, for example, for biological activity. Cyclization is a key method to control 3D and other properties. A two-step approach, which involves a multicomponent reaction followed by cyclization, is reported to achieve the transition from basic moieties to charge neutral cyclic derivatives. A series of multisubstituted oxazolidinones, oxazinanones, and oxazepanones as well as their thio and sulfur derivatives are synthesized from readily available building blocks with mild conditions and high yields. Like a few other methods, MCR and cyclization allow for the collective transformation of a large chemical space into a related one with different properties.

中文翻译：

支架诱导的化学空间性质调节。

化学空间的物理化学性质转换对于化合物的优化（例如生物活性）非常重要。环化是控制3D和其他性能的关键方法。据报道，一种两步法，包括多组分反应和环化，可实现从碱性部分到电荷中性环状衍生物的转变。一系列多取代恶唑烷酮、恶嗪酮和恶氮杂酮及其硫代和硫衍生物是由容易获得的结构单元合成的，条件温和，收率高。与其他一些方法一样，MCR 和环化可以将大型化学空间集体转变为具有不同性质的相关化学空间。

更新日期：2020-07-13

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