| 1432736-15-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• CAS: 1432736-15-6
• 化学式: C₃₉H₃₉F₆N₅
• 分子量: 691.763
• InChiKey: XLUIDCXASVGKFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.72
• 重原子数：
  50.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  86.95
• 氢给体数：
  4.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  3,5-双(三氟甲基)苯乙腈 、 formyl meso-octamethylcalix[4]pyrrole 在 哌啶 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以73%的产率得到
  参考文献：
  名称：

  Sensing of Carboxylate Drugs in Urine by a Supramolecular Sensor Array

  摘要：

  A supramolecular sensor array consisting of eight chemosensors embedded in a hydrogel matrix was used to sense carboxylate drugs. The discriminatory power of the array has been evaluated using principal component analysis and linear discriminant analysis. The eight-member sensor array has been shown to accurately identify 14 carboxylates in water with 100% classification accuracy. To demonstrate the potential for practical utility in the physiological environment, analysis of carboxylate drugs in human urine was also performed achieving 100% correct classification. In addition, the array performance in semiquantitative identification of nonsteroidal anti-inflammatory drugs has been investigated, and the results show that the sensor array is able to differentiate six typical nonsteroidal anti-inflammatory drugs at concentrations of 0.5-100 ppm. This illustrates the potential utility of the designed sensor array for diagnostic and environmental monitoring applications.

  DOI：

  10.1021/ja4015748