| 690665-24-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 690665-24-8
• 化学式: C₈₇H₁₄₉N₁₁O₂₃S₃
• 分子量: 1813.4
• InChiKey: PMUDCWURYWBWQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.48
• 重原子数：
  124.0
• 可旋转键数：
  61.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  414.48
• 氢给体数：
  8.0
• 氢受体数：
  24.0

反应信息

• 作为反应物：
  描述：

  9H-fluoren-9-ylmethyl N-[3-[2-[2-[3-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylcarbamothioylamino]propoxy]ethoxy]ethoxy]propyl]carbamate 、 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Solution- and Solid-Phase Syntheses of Guanidine-Bridged, Water-Soluble Linkers for Multivalent Ligand Design

  摘要：

  Efficient syntheses of guanidine-bridged poly(ethylene glycol) linkers of various lengths in fully protected form are reported for both solution- and solid-phase protocols. The application of such linkers in the construction of water-soluble and high-affinity multivalent ligands against cholera toxin is demonstrated. Synthetic intermediates for multivalent ligands as large as 20 kDa in molecular weight have been assembled using presynthesized linkers. The final ligands are highly water-soluble, thus enabling proper biophysical characterization.

  DOI：

  10.1021/ol049835v
• 作为产物：
  描述：

  在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙酸乙酯 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  Solution- and Solid-Phase Syntheses of Guanidine-Bridged, Water-Soluble Linkers for Multivalent Ligand Design

  摘要：

  Efficient syntheses of guanidine-bridged poly(ethylene glycol) linkers of various lengths in fully protected form are reported for both solution- and solid-phase protocols. The application of such linkers in the construction of water-soluble and high-affinity multivalent ligands against cholera toxin is demonstrated. Synthetic intermediates for multivalent ligands as large as 20 kDa in molecular weight have been assembled using presynthesized linkers. The final ligands are highly water-soluble, thus enabling proper biophysical characterization.

  DOI：

  10.1021/ol049835v