| 1166397-67-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• CAS: 1166397-67-6
• 化学式: C₂₈H₅₂N₄O₉S
• 分子量: 620.808
• InChiKey: PUGCFDPDYFRKFG-WCYRKSIYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.19
• 重原子数：
  42.0
• 可旋转键数：
  27.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  154.71
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  、 Desulfo-yessotoxin 在 camphor-10-sulfonic acid 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以59%的产率得到
  参考文献：
  名称：

  Surface plasmon resonance-based detection of ladder-shaped polyethers by inhibition detection method

  摘要：

  Ladder-shaped polyether (LSP) compounds represented by brevetoxins and ciguatoxins were largely discovered in association with seafood poisoning. Thus, a quick quantification method for LSPs is potentially important. We examined a surface plasmon resonance method using desulfated-yessotoxin (dsYTX) immobilized on a sensor chip and phosphodiesterase PDEII in a inhibition detection mode. Yessotoxin, brevetoxin B and synthetic LSP derivatives showed clear inhibition against PDEII binding to the immobilized dsYTX, by which their half inhibitory concentrations were successfully estimated. This inhibition method appeared to be superior in specificity to direct binding assays where binding proteins to LSP was immobilized on a sensor chip. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.103
• 作为产物：
  描述：

  1-氨基-3,3-二乙氧基丙烷 、 15-生物素-氨基-4,7,10,13-二氧杂壬酸N-羟基琥珀酰亚胺 以 二氯甲烷 为溶剂， 反应 3.0h， 以96%的产率得到
  参考文献：
  名称：

  Surface plasmon resonance-based detection of ladder-shaped polyethers by inhibition detection method

  摘要：

  Ladder-shaped polyether (LSP) compounds represented by brevetoxins and ciguatoxins were largely discovered in association with seafood poisoning. Thus, a quick quantification method for LSPs is potentially important. We examined a surface plasmon resonance method using desulfated-yessotoxin (dsYTX) immobilized on a sensor chip and phosphodiesterase PDEII in a inhibition detection mode. Yessotoxin, brevetoxin B and synthetic LSP derivatives showed clear inhibition against PDEII binding to the immobilized dsYTX, by which their half inhibitory concentrations were successfully estimated. This inhibition method appeared to be superior in specificity to direct binding assays where binding proteins to LSP was immobilized on a sensor chip. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.103