(1S,3R,5R,6S,8R,10R,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)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[[4-[[1-[[(1S,3R,5R,6S,8R,10R,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-10,15,20,25,30,35-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-5-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]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 | 1107602-74-3

• 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,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[[4-[[1-[[(1S,3R,5R,6S,8R,10R,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-10,15,20,25,30,35-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-5-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]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: 1107602-74-3
• 化学式: C₉₆H₁₄₈N₆O₇₀
• 分子量: 2506.23
• InChiKey: XYGYKABVUSRFAS-CBOMZRTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -28.8
• 重原子数：
  172
• 可旋转键数：
  22
• 环数：
  45.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  1150
• 氢给体数：
  40
• 氢受体数：
  74

反应信息

• 作为产物：
  描述：

  1,4-双(2-丙炔氧基)苯 、 6A-叠氮基-6A-脱氧-β-环糊精 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以51%的产率得到(1S,3R,5R,6S,8R,10R,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)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[[4-[[1-[[(1S,3R,5R,6S,8R,10R,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-10,15,20,25,30,35-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-5-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]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：

  一种由直链阳离子寡肽与多臂β-环糊精组成的光控抗菌剂

  摘要：

  一种利用光照调控抗菌活性的由直链阳离子寡肽与多臂β‑环糊精组成的光控抗菌剂，属于抗菌材料技术领域。本发明所述光响应的直链阳离子寡肽与多臂β‑环糊精组成的光控抗菌剂由含偶氮苯的直链阳离子寡肽和多臂环糊精通过“主‑客体”识别形成交联聚集体。直链阳离子寡肽与多臂β‑环糊精在聚集和解聚集两种状态下具有明显不同的抗菌活性，本发明利用直链阳离子寡肽中偶氮苯构象的光异构特性来调节偶氮苯与环糊精间“主‑客体”识别作用的结合与解离，控制交联聚集体的形成与瓦解，进而实现光照调节直链阳离子寡肽的抗菌活性。即上述光控抗菌剂可在光照射下改变自身抗菌活性，其抗菌性能可在时间和空间上实施人工干预。

  公开号：

  CN110787283A

文献信息

• 一种由直链阳离子寡肽与多臂β-环糊精组成的光控抗菌剂
  申请人：吉林大学

  公开号：CN110787283A

  公开（公告）日：2020-02-14

  一种利用光照调控抗菌活性的由直链阳离子寡肽与多臂β‑环糊精组成的光控抗菌剂，属于抗菌材料技术领域。本发明所述光响应的直链阳离子寡肽与多臂β‑环糊精组成的光控抗菌剂由含偶氮苯的直链阳离子寡肽和多臂环糊精通过“主‑客体”识别形成交联聚集体。直链阳离子寡肽与多臂β‑环糊精在聚集和解聚集两种状态下具有明显不同的抗菌活性，本发明利用直链阳离子寡肽中偶氮苯构象的光异构特性来调节偶氮苯与环糊精间“主‑客体”识别作用的结合与解离，控制交联聚集体的形成与瓦解，进而实现光照调节直链阳离子寡肽的抗菌活性。即上述光控抗菌剂可在光照射下改变自身抗菌活性，其抗菌性能可在时间和空间上实施人工干预。
• Click chemistry as an efficient tool to access β-cyclodextrin dimers
  作者：Maxime Mourer、Frédéric Hapiot、Eric Monflier、Stéphane Menuel

  DOI：10.1016/j.tet.2008.05.095

  日期：2008.7

  The Cu(I)-catalyzed azide-alkyne cycloaddition has enabled practical and efficient preparation of hydroxylated, permethylated and peracylated beta-cyclodextrin dimers in good yields starting from mono-6-azido-beta-cyclodextrin and ortho-, meta- or para-bis-(prop-2-ynyloxy)benzenes as spacers. (c) 2008 Elsevier Ltd. All rights reserved.