2-[2-[bis[2-(2-hydroxyethylamino)-2-oxoethyl]amino]-4-formyl-N-[2-(2-hydroxyethylamino)-2-oxoethyl]anilino]-N-(2-hydroxyethyl)acetamide | 1086010-79-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[2-[bis[2-(2-hydroxyethylamino)-2-oxoethyl]amino]-4-formyl-N-[2-(2-hydroxyethylamino)-2-oxoethyl]anilino]-N-(2-hydroxyethyl)acetamide
• CAS: 1086010-79-8
• 化学式: C₂₃H₃₆N₆O₉
• 分子量: 540.574
• InChiKey: VWZAQHZTCQZIIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.7
• 重原子数：
  38
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  221
• 氢给体数：
  8
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4-(5,5-difluoro-1,3,7,9-tetramethyl-5H-4λ⁴,5λ⁴-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)benzonitrile 、 2-[2-[bis[2-(2-hydroxyethylamino)-2-oxoethyl]amino]-4-formyl-N-[2-(2-hydroxyethylamino)-2-oxoethyl]anilino]-N-(2-hydroxyethyl)acetamide 在 哌啶 、 magnesium(II) perchlorate hexahydrate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 以6%的产率得到
  参考文献：
  名称：

  Red-Emission Fluorescent Probe Sensing Cadmium and Pyrophosphate Selectively in Aqueous Solution

  摘要：

  A fluorescent sensor for cadmium (CS) based on the BODIPY fluorophore exploiting the PET (Photoinduced Electron Transfer) mechanism was prepared. CS exhibited high selectivity and sensitivity for detecting cadmium in aqueous buffer solution. In addition, the complex of CS with cadmium could detect pyrophosphate (PPI) selectively and sensitively.

  DOI：

  10.1021/ol201305d
• 作为产物：
  描述：

  {[2-(Bis-ethoxycarbonylmethyl-amino)-5-formyl-phenyl]-ethoxycarbonylmethyl-amino}-acetic acid ethyl ester 、 C.I.酸性橙108 以 乙腈 为溶剂， 反应 3.0h， 生成 2-[2-[bis[2-(2-hydroxyethylamino)-2-oxoethyl]amino]-4-formyl-N-[2-(2-hydroxyethylamino)-2-oxoethyl]anilino]-N-(2-hydroxyethyl)acetamide
  参考文献：
  名称：

  A Highly Sensitive and Selective OFF-ON Fluorescent Sensor for Cadmium in Aqueous Solution and Living Cell

  摘要：

  A highly selective and sensitive OFF-ON fluorescent sensor 1, employing the PET mechanism, was designed and synthesized. It could be used to detect Cd2+ ion in aqueous solution and to image Cd2+ ion in living cells. The fluorescence intensity significantly enhanced about 195-fold and the quantum yield increased almost 100-fold. Moreover the fluorescence intensity of 1 increased linearly with high sensitivity (0-1 mu M) toward Cd2+.

  DOI：

  10.1021/ja806928n