(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23S,25S,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[[[(1S,3R,5R,6S,8S,10S,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyldiselanyl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol | 211099-46-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23S,25S,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[[[(1S,3R,5R,6S,8S,10S,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyldiselanyl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• CAS: 211099-46-6
• 化学式: C₈₄H₁₃₈O₆₈Se₂
• 分子量: 2393.9
• InChiKey: QUYUJJPGWICCTN-WUGKIVSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -29.27
• 重原子数：
  154
• 可旋转键数：
  17
• 环数：
  42.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1070
• 氢给体数：
  40
• 氢受体数：
  68

反应信息

• 作为反应物：
  描述：

  (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23S,25S,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[[[(1S,3R,5R,6S,8S,10S,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyldiselanyl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol 在 双氧水 作用下， 以 水 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  基于超两亲分子的自组装构建智能的温度响应型GPx模仿物†

  摘要：

  谷胱甘肽过氧化物酶（GPx）是对抗氢过氧化物的一种主要防御手段，它是一种保护细胞免受氧化损伤的硒酶。通过两性环糊精与金刚烷衍生物之间的客体识别形成的超两亲分子的自组装，成功构建了具有可控GPx活性和形态的超分子囊泡。通过引入热敏聚（N-异丙基丙烯酰胺（PNIPAM）支架和硒的催化部分分别形成金刚烷和环糊精，催化功能化的环糊精与热敏功能化的金刚烷的配合物指导了超分子囊泡的形成，该囊泡在37°C时起GPx的作用。自组装的纳米酶表现出明显的温度响应特性，并具有类似GPx的高催化活性，从而促进了过氧化氢（H 2 O 2）的还原。）在37°C下以谷胱甘肽（GSH）作为还原底物。但是，由于PNIPAM在线圈和小球之间的过渡，当温度降至25°C时，囊泡会分解。有趣的是，催化活性随形态的变化而变化。在37°C下自组装的囊泡结构为酶促反应提供了有利的微环境，因此我们成功开发了温度响应型纳米酶模型。此外，与天

  DOI：

  10.1039/c5sm02074c
• 作为产物：
  描述：

  mono-6-deoxy-6-(p-toluenesulfonyl)-β-cyclodextrin 在 sodium diselenide 作用下， 生成 (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23S,25S,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[[[(1S,3R,5R,6S,8S,10S,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyldiselanyl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
  参考文献：
  名称：

  基于超两亲分子的自组装构建智能的温度响应型GPx模仿物†

  摘要：

  谷胱甘肽过氧化物酶（GPx）是对抗氢过氧化物的一种主要防御手段，它是一种保护细胞免受氧化损伤的硒酶。通过两性环糊精与金刚烷衍生物之间的客体识别形成的超两亲分子的自组装，成功构建了具有可控GPx活性和形态的超分子囊泡。通过引入热敏聚（N-异丙基丙烯酰胺（PNIPAM）支架和硒的催化部分分别形成金刚烷和环糊精，催化功能化的环糊精与热敏功能化的金刚烷的配合物指导了超分子囊泡的形成，该囊泡在37°C时起GPx的作用。自组装的纳米酶表现出明显的温度响应特性，并具有类似GPx的高催化活性，从而促进了过氧化氢（H 2 O 2）的还原。）在37°C下以谷胱甘肽（GSH）作为还原底物。但是，由于PNIPAM在线圈和小球之间的过渡，当温度降至25°C时，囊泡会分解。有趣的是，催化活性随形态的变化而变化。在37°C下自组装的囊泡结构为酶促反应提供了有利的微环境，因此我们成功开发了温度响应型纳米酶模型。此外，与天

  DOI：

  10.1039/c5sm02074c

文献信息

• Giant Nanotubes Loaded with Artificial Peroxidase Centers: Self-Assembly of Supramolecular Amphiphiles as a Tool To Functionalize Nanotubes
  作者：Yong Tang、Lipeng Zhou、Jiaxi Li、Quan Luo、Xin Huang、Ping Wu、Yongguo Wang、Jiayun Xu、Jiacong Shen、Junqiu Liu

  DOI：10.1002/anie.200907036

  日期：2010.5.25

  Test tubes: Large‐diameter nanotubes have been obtained by direct self‐assembly of cyclodextrin‐based host–guest superamphiphiles (see picture). By manipulating the surface of the nanotubes with a combination of a molecular‐imprinting strategy and self‐assembly, the main catalytic components of glutathione peroxidase were fabricated on the nanotube scaffold.

  试管：大直径的纳米管是通过基于环糊精的宿主-客体超两亲物的直接自组装获得的（见图）。通过结合分子印迹策略和自组装操作纳米管的表面，在纳米管支架上制备了谷胱甘肽过氧化物酶的主要催化成分。