Study on Electronic and Steric Effects of Boron Cluster and Application for Construction of Functional Molecules.

碳硼烷(二碳杂环十二烷)是一类含碳的多面体含硼簇合物，具有球状结构、显著的热稳定性和疏水性。在本研究中，我们将它们的分子形状和疏水表面应用于功能分子的设计和合成，具体如下。含碳硼烷和苯的层状和环状分子的分子结构。用碳硼烷代替苯和环烷烃设计和合成介晶分子。设计和合成含有碳硼烷的核受体配体，通过疏水作用与受体相互作用。本项目(1和2)所取得的结果应使利用纳米级化学和材料科学的构建成为可能。另一方面，开发有效的含碳硼烷的核受体调节剂(维甲酸受体配体和雌激素受体配体)将产生新的候选治疗药物，特别是选择性受体调节剂。此外，球形碳硼环与受体空腔结合的适宜性为开发其他药物的新型配体提供了类似的方法基础。

Carboranes (dicarba-closo-dodecaboranes) are a class of carbon-containing polyhedral boron-cluster compounds having globular shape, remarkable thermal stability and hydrophobic character. In this study, we applied their molecular shape and hydrophobic surface of the molecules to design and synthesis of functional molecules as follows.1. Molecular construction of layered and cyclic molecules with carboranes and benzenes.2. Design and synthesis of mesogenic molecules with carboranes instead of benzenes and cycloalkane.3. Design and synthesis of carborane containing nuclear receptor ligands that interact hydrophobically with receptors.The results achieved in this project (1 and 2) should make it possible to utilize construction of nano-scale chemistry and materials sciences. On the other hands, development of the potent carborane-containing nuclear receptor modulators (retinoid receptor ligands and estrogen receptor ligands) should yield novel candidate therapeutic agents, especially selective receptor modulators. Furthermore, the suitability of the spherical carborane cage for bindiiig to the cavity of receptor should provide a basis for a similar approach to developing novel ligands for other pharmaceutics