| 1017553-98-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• CAS: 1017553-98-8
• 化学式: C₃₉H₅₄N₄O₉S₂
• 分子量: 787.011
• InChiKey: SXYLPSGRPIMDIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  54.0
• 可旋转键数：
  18.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  176.46
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  、 碘甲烷 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以14%的产率得到Cy3-3-acylcholine
  参考文献：
  名称：

  Cy3-3-acylcholine: A fluorescent analogue of acetylcholine for single molecule detection

  摘要：

  We synthesized a novel fluorescent analogue of acetylcholine, Cy3-3-acyleholine. The molecular weight of the products agreed with structural predictions. Discrete intensity changes of fluorescent spots due to a single ligand binding/unbinding to nAChR were visualized by TIRF microscopy. The agonist effect of the Cy3-3-acylcholine on nicotinic acetylcholine receptor (nAChR) was confirmed electrophysiologically. This newly synthesized fluorescent analogue will enable us to conduct more elaborate studies on single channel interaction processes between nAChR and ligands. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.002
• 作为产物：
  描述：

  N,N-二甲基乙醇胺 、 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Cy3-3-acylcholine: A fluorescent analogue of acetylcholine for single molecule detection

  摘要：

  We synthesized a novel fluorescent analogue of acetylcholine, Cy3-3-acyleholine. The molecular weight of the products agreed with structural predictions. Discrete intensity changes of fluorescent spots due to a single ligand binding/unbinding to nAChR were visualized by TIRF microscopy. The agonist effect of the Cy3-3-acylcholine on nicotinic acetylcholine receptor (nAChR) was confirmed electrophysiologically. This newly synthesized fluorescent analogue will enable us to conduct more elaborate studies on single channel interaction processes between nAChR and ligands. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.002

文献信息

• An improved synthesis of a fluorescent gabapentin–choline conjugate for single molecule detection
  作者：Haitao Wu、Gurpreet Kaur、Gary L. Griffiths

  DOI：10.1016/j.tetlet.2009.02.125

  日期：2009.5

  Voltage-gated calcium ion channels comprise pore-forming alpha(1) and auxiliary alpha(2)delta, beta, and gamma subunits. They are important molecular devices involved in a variety of cell functions. Fluorescently labeled acylcholine analogues are important in studies such as ion channel regulation. Cy3-3-acetylcholine has recently been synthesized for single molecule detection studies; albeit in an extremely low overall yield (0.06%). In this Work, an alternative route to that used in the previous Cy3-3-acetylcholine synthesis was developed with a 90% yield at a significantly lower material cost. Published by Elsevier Ltd.