Department of Chemistry, Seoul National University, Korea.
ACS Comb Sci. 2012 Feb 13;14(2):124-34. doi: 10.1021/co2001907. Epub 2011 Dec 30.
As a continuation of our previous report (J. Comb. Chem.2010, 12, 548-558), we accomplished the diversity-oriented synthesis of polyheterocyclic small-molecule library with privileged benzopyran substructure. To ensure the synthetic efficiency, we utilized the solid-phase parallel platform and the fluorous-tag-based solution-phase parallel platform to construct a 284-member polyheterocyclic library with six distinct core skeletons with an average purity of 87% on a scale of 5-10 mg. This library was designed to maximize the skeletal diversity with discrete core skeletons in three-dimensional space and the combinatorial diversity with four different benzopyranyl starting materials and various building blocks. Together with our reported benzopyranyl library, we completed the construction of polyheterocyclic benzopyran library with 11 unique scaffolds and their molecular diversity was visualized in chemical space using principle component analysis (PCA).
作为我们之前报告的延续（J. Comb. Chem. 2010, 12, 548-558），我们完成了具有特权苯并吡喃结构的多杂环小分子文库的多样性导向合成。为了确保合成效率，我们利用固相平行平台和基于氟标记的溶液相平行平台，构建了一个包含六个不同核心骨架的 284 成员多杂环文库，每个核心骨架的平均纯度为 87%，规模为 5-10mg。该文库的设计目的是最大限度地提高三维空间中离散核心骨架的骨架多样性和四种不同苯并吡喃起始原料和各种构建块的组合多样性。结合我们报道的苯并吡喃文库，我们完成了具有 11 个独特支架的多杂环苯并吡喃文库的构建，并使用主成分分析（PCA）在化学空间中可视化了它们的分子多样性。
