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 | 690665-13-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 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
• CAS: 690665-13-5
• 化学式: C₃₉H₅₁N₃O₈S₂
• 分子量: 753.981
• InChiKey: JJWQUOKFNANULF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  52
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  174
• 氢给体数：
  3
• 氢受体数：
  9

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 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 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 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.17h， 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
• 作为产物：
  描述：

  在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.66h， 生成 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
  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