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

硼团簇的电子和空间效应研究及其在功能分子构建中的应用。

• 批准号: 13470468
• 负责人: ENDO Yasuyuki
• 金额: $ 9.09万
• 依托单位: Tohoku Pharmaceutical University (2002-2003)The University of Tokyo (2001)
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 2001
• 资助国家: 日本
• 起止时间: 2001 至 2003
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-13470468/
• 关键词: carborane; molecular construction; functional molecule; receptor; hydrophobic interaction; liquid crystal; drug design; 医薬分子設計; 疎水性相互; アセチレン; 加溶媒分解; 反応速度解析; 求核性; 芳香族ウレア; 芳香族多層構造

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

碳硼烷（dicarba-closo-dodecoboranes）是一类具有球形、热稳定性和疏水性的多面体硼原子簇化合物。本研究利用它们的分子形状和分子的疏水表面，设计合成了如下功能分子.用碳硼烷和苯构筑层状和环状分子.以碳硼烷取代苯和环烷烃设计合成介晶分子.设计和合成含有核受体配体的碳硼烷，这些配体与受体疏水相互作用。本项目（1和2）中取得的结果应使利用纳米尺度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（类视色素受体配体和雌激素受体配体）应产生新的候选治疗剂，特别是选择性受体调节剂。此外，球形碳硼烷笼与受体空腔结合的适用性应为开发用于其他药物的新型配体的类似方法提供基础

项目成果

Yasuyuki Endo: "Potent Estrogen Agonists Based on Carborane as a Hydrophobic Skeletal Structure. A New Medicinal Application of Boron Clusters"Chem.Biol.. 8. 341-355 (2001)

Yasuyuki Endo：“基于碳硼烷作为疏水性骨骼结构的有效雌激素激动剂。硼簇的新医学应用”Chem.Biol.. 8. 341-355 (2001)

Yasuyuki Endo: "Medicinal Application of Dicarba-closo-dodecaboranes. Relation between Retinoidal Activity and Conformation of Two Aromatic Nuclei."BioMed.Chem.Lett.. 11. 1307-1311 (2001)

Yasuyuki Endo：“Dicarba-closo-dodecaboranes 的医学应用。类视黄醇活性与两个芳香核构象之间的关系。”BioMed.Chem.Lett.. 11. 1307-1311 (2001)

I.Endo, Y., Iijima, T., Yarnakoshi, Y., Fukasawa, H., Miyaura, C., Inada, M., Kubo, A., Itai, A.: "Potent Estrogen Agonists Based on Carborane as a Hydrophobic Skeletal Structure. A New Medicinal Application of Boron Clusters."Chem.Biol.. 8. 341-355 (2001

I.Endo, Y.、Iijima, T.、Yarnakoshi, Y.、Fukasawa, H.、Miyaura, C.、Inada, M.、Kubo, A.、Itai, A.：“基于碳硼烷的有效雌激素激动剂

Endo, Y., Taoda, Y.: "Electronic Effects of 3cosahedral Carboranes: Kinetic Evidence for Interaction between Boron Atom and Nucleophile on the Solvolysis of (o-Carboranyl)benzyl Tosylates."Tetrahedron Lett.. 42. 5327-5331 (2001)

Endo, Y.，Taoda, Y.：“3cos面体碳硼烷的电子效应：硼原子和亲核试剂对甲苯磺酸（邻碳硼烷基）苄基甲苯磺酸盐溶剂解作用的相互作用的动力学证据。”Tetrahedron Lett.. 42. 5327-5331 (2001)

Detlef Gabel: "Molecular Clusters of the Main-Group Elements"Driess, M. ; Noth, H (eds.), Wiley-VHC, Weinheim (印刷中). (2003)

Detlef Gabel：“主族元素的分子簇”Driess，M.；Noth，H（编辑），Wiley-VHC，Weinheim（出版中）。