N¹-(2-(3',6'-bis(diethylamino)-3-oxospiro[isoindoline-1,9'-xanthen]-2-yl)ethyl)-N⁴,N⁴-bis(pyridin-2-ylmethyl)succinamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N¹-(2-(3',6'-bis(diethylamino)-3-oxospiro[isoindoline-1,9'-xanthen]-2-yl)ethyl)-N⁴,N⁴-bis(pyridin-2-ylmethyl)succinamide
• 英文别名: N-[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyl]-N',N'-bis(pyridin-2-ylmethyl)butanediamide
• 化学式: C₄₆H₅₁N₇O₄
• 分子量: 765.955
• InChiKey: SHZGULLLSVOURL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  57
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  rhodamine B 在 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 15.0h， 生成 N¹-(2-(3',6'-bis(diethylamino)-3-oxospiro[isoindoline-1,9'-xanthen]-2-yl)ethyl)-N⁴,N⁴-bis(pyridin-2-ylmethyl)succinamide
  参考文献：
  名称：

  Synthesis and evaluation of a new Rhodamine B and Di(2-picolyl)amine conjugate as a highly sensitive and selective chemosensor for Al3+ and its application in living-cell imaging

  摘要：

  A new Rhodamine B derivative (RBDPA), namely, N-1-(2-(3',6'-bis(diethylamino)-3-oxospiro[ isoindoline-1,9'-xanthen]-2-yl) ethyl)-N-4, N-4-bis(pyridin-2-ylmethyl) succinamide, was designed, synthesized and structurally characterized to develop a chemosensor. The studies show that RBDPA exhibits high sensitivity and selectivity toward Al3+ among many other metal cations in an ethanol/H2O (1:1, v/v, pH = 7.2, HEPES buffer, 0.1 mM) solution. Fluorescence microscopy experiments further demonstrate that RBDPA can be used as a fluorescent probe to detect Al3+ in living cells. (c) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.12.070