4-溴甲基-1-甲基-2,6,7-三氧杂双环[2.2.2]辛烷 | 60028-14-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-溴甲基-1-甲基-2,6,7-三氧杂双环[2.2.2]辛烷
• 英文名称: 4-(bromomethyl)-methyl-2,6,7-trioxabicyclo[2.2.2]-octane
• 英文别名: 4-(bromomethyl)-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane；4-Bromomethyl-1-methyl-2,6,7-trioxabicyclo(2.2.2)octane
• CAS: 60028-14-0
• 化学式: C₇H₁₁BrO₃
• 分子量: 223.067
• InChiKey: WPGSZUVGMJRWTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  DL-α-生育酚 、 4-溴甲基-1-甲基-2,6,7-三氧杂双环[2.2.2]辛烷 在 sodium hydride 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 、 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 28.25h， 以78%的产率得到
  参考文献：
  名称：

  NOVEL VITAMIN E-BASED AMPHIPATHIC COMPOUND, AND USE THEREOF

  摘要：

  本发明涉及一种基于维生素E的两性分子化合物，以及制备该化合物的方法，以及利用该化合物提取、溶解、稳定或结晶膜蛋白的方法。通过使用本发明的化合物，不仅可以实现出色的膜蛋白提取和溶解效果，而且膜蛋白可以在水溶液中稳定存储长时间，因此该化合物可用于分析膜蛋白的功能和结构。此外，基于维生素E的两性分子化合物在通过电子显微镜可视化蛋白化合物方面表现出卓越性能。膜蛋白结构和功能分析是当今生物学和化学领域最感兴趣的领域之一，由于目前至少一半正在开发的新药物针对膜蛋白，因此基于维生素E的两性分子化合物可能被应用于与新药物开发密切相关的膜蛋白结构研究中。

  公开号：

  US20200299252A1

文献信息

• Tandem neopentyl glycol maltosides (TNMs) for membrane protein stabilisation
  作者：Hyoung Eun Bae、Jonas S. Mortensen、Orquidea Ribeiro、Yang Du、Muhammad Ehsan、Brian K. Kobilka、Claus J. Loland、Bernadette Byrne、Pil Seok Chae

  DOI：10.1039/c6cc06147h

  日期：——

  A novel class of detergents, designated tandem neopenyl glycol maltosides (TNMs), were evaluated with four target membrane proteins. The best detergent varied depending on the target, but TNM-C12L or TNM-C11S...

  使用四种靶膜蛋白对一类新型去垢剂（称为串联新戊二醇麦芽糖苷 (TNM)）进行了评估。最好的清洁剂根据目标而有所不同，但 TNM-C12L 或 TNM-C11S...
• 텐덤 네오펜틸 글리콜 기반의 양친매성 화합물 및 이의 활용
  申请人：Industry-University Cooperation Foundation Hanyang University ERICA Campus 한양대학교 에리카산학협력단(120120008551) Corp. No ▼ 131471-0017977BRN ▼134-82-10205

  公开号：KR20180037907A

  公开（公告）日：2018-04-13

  본 발명은 텐덤 네오펜틸 글리콜(tandem neopentyl glycol) 기반의 양친매성 화합물, 이의 제조방법 및 이를 이용하여 막단백질을 추출, 용해화, 안정화 또는 결정화하는 방법에 관한 것이다. 본 발명에 따른 텐덤 네오펜틸 글리콜(tandem neopentyl glycol) 기반의 화합물을 이용하면 막단백질 가용화 효과가 우수할 뿐 아니라 막단백질을 수용액에서 장기간 안정적으로 보관할 수 있기 때문에, 이를 통해 그 기능분석 및 구조 분석에 활용될 수 있다. 막단백질 구조 및 기능 분석은 현 생물학 및 화학에서 가장 관심을 갖고 있는 분야 중 하나이고, 현재 개발되고 있는 신약의 절반 이상이 막단백질을 타깃으로 하므로 신약 개발과 긴밀한 관계가 있는 막단백질 구조 연구에 응용이 가능하다.

  This invention relates to a zwitterionic compound based on tandem neopentyl glycol, its preparation method, and a method for extracting, solubilizing, stabilizing, or crystallizing membrane proteins using it. By using the tandem neopentyl glycol-based compound according to the present invention, not only is the effect of solubilizing membrane proteins excellent, but the membrane proteins can also be stably stored in an aqueous solution for a long period of time. Therefore, it can be utilized for functional analysis and structural analysis. The analysis of membrane protein structure and function is one of the most interesting areas in current biology and chemistry. As more than half of the newly developed drugs are targeting membrane proteins, the application of membrane protein structure research is closely related to drug development.
• NOVEL AMPHIPHILIC COMPOUND HAVING DENDRONIC HYDROPHOBIC GROUP AND APPLICATION THEREOF
  申请人：Industry-University Cooperation Foundation Hanyang University Erica Campus

  公开号：US20200247836A1

  公开（公告）日：2020-08-06

  The present invention relates to an amphiphilic compound having a dendronic hydrophobic group, a method for preparing the same, and a method for extraction, solubilization, stabilization, or crystallization of a membrane protein by using the same. The use of the compound according to the present invention leads to an excellent membrane protein solubilization effect and a stable storage of a membrane protein in an aqueous solution for a long time, and thus can be utilized for functional analysis and structural analysis of the membrane protein. Especially, the amphiphilic compound having a dendronic hydrophobic group showed very remarkable characteristics in the visualization of protein composites through an electronic microscope. The membrane protein structural and functional analysis is one of the fields of greatest interest in current biology and chemistry, and more than half of the new drugs that are currently being developed are targeted at membrane proteins, and thus the amphiphilic compound of the present invention can be applied to membrane protein structure studies closely related to the development of new drugs.

  本发明涉及具有树状疏水基团的两性分子化合物，以及制备该化合物的方法，以及利用该化合物进行膜蛋白的提取、溶解、稳定化或结晶化的方法。根据本发明的化合物的使用导致出色的膜蛋白溶解效果，并使膜蛋白在水溶液中稳定存储较长时间，因此可用于膜蛋白的功能分析和结构分析。特别是，具有树状疏水基团的两性分子化合物在电子显微镜下显示出非常显著的蛋白质复合物可视化特征。膜蛋白的结构和功能分析是当前生物学和化学领域最感兴趣的领域之一，目前正在开发的新药物中超过一半是针对膜蛋白的，因此本发明的两性分子化合物可应用于与新药物开发密切相关的膜蛋白结构研究。
• NOVEL TRIS- OR NEOPENTYL GLYCOL-BASED AMPHIPHILES AND USES THEREOF
  申请人：Industry-University Cooperation Foundation Hanyang University Erica Campus

  公开号：US20190284221A1

  公开（公告）日：2019-09-19

  The present invention relates to a TRIS- or neopentyl glycol-based amphipathic compound, a method of preparing the same, and a method of extracting, solubilizing, stabilizing, or crystallizing a membrane protein using the same. By using the TRIS- or neopentyl glycol-based compound according to the present invention, a superior membrane protein solubilization effect is exhibited, a membrane protein can be stably stored for a long time in an aqueous solution, and the structural fluidity of the membrane protein can be excellently maintained. Accordingly, the TRIS- or neopentyl glycol-based compound can be utilized in analyzing functions and structures of membrane proteins. Membrane protein structure and function analysis is currently one of the most attractive fields of research in biology and chemistry. Since more than half of the new drugs under development target membrane proteins, the compound can be applied to membrane protein structure research closely related to drug discovery.

  本发明涉及一种基于TRIS或新戊二醇的两性分子化合物，其制备方法，以及使用该化合物提取、溶解、稳定或结晶膜蛋白的方法。通过使用本发明中的TRIS或新戊二醇化合物，可以展示出卓越的膜蛋白溶解效果，可以在水溶液中稳定存储膜蛋白，并且可以优秀地维持膜蛋白的结构流动性。因此，TRIS或新戊二醇化合物可以用于分析膜蛋白的功能和结构。膜蛋白结构和功能分析目前是生物和化学研究中最具吸引力的领域之一。由于超过一半的新药开发针对膜蛋白，因此该化合物可以应用于与药物发现密切相关的膜蛋白结构研究。
• Vitamin E-based glycoside amphiphiles for membrane protein structural studies
  作者：Muhammad Ehsan、Yang Du、Iago Molist、Alpay B. Seven、Parameswaran Hariharan、Jonas S. Mortensen、Lubna Ghani、Claus J. Loland、Georgios Skiniotis、Lan Guan、Bernadette Byrne、Brian K. Kobilka、Pil Seok Chae

  DOI：10.1039/c8ob00270c

  日期：——

  A vitamin E-based novel agent (i.e., VEG-3) was markedly effective at stabilizing and visualizing a G-protein coupled receptor (GPCR)-G_s complex.

  一种基于维生素E的新型药剂（即VEG-3）在稳定和可视化G蛋白偶联受体（GPCR）-G_s复合物方面表现出显著的有效性。