5-[[5-(diethylcarbamoyl)-1H-pyrrol-2-yl]-(5-methoxy-2-prop-2-enoxyphenyl)methylidene]-N,N-diethylpyrrole-2-carboxamide | 1028562-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-[[5-(diethylcarbamoyl)-1H-pyrrol-2-yl]-(5-methoxy-2-prop-2-enoxyphenyl)methylidene]-N,N-diethylpyrrole-2-carboxamide
• CAS: 1028562-53-9
• 化学式: C₂₉H₃₆N₄O₄
• 分子量: 504.629
• InChiKey: SLNAGOZKZYTJRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  87.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-[[5-(diethylcarbamoyl)-1H-pyrrol-2-yl]-(5-methoxy-2-prop-2-enoxyphenyl)methylidene]-N,N-diethylpyrrole-2-carboxamide 在 三氟化硼乙醚 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以61%的产率得到10-(2-(allyloxy)-5-methoxyphenyl)-3,7-bis(diethylcarbamoyl)-5,5-difluoro-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium
  参考文献：
  名称：

  A Highly Specific BODIPY-Based Fluorescent Probe for the Detection of Hypochlorous Acid

  摘要：

  A fluorescent probe, HKOCl-1, has been successfully developed for the detection of hypochlorous acid on the basis of a specific reaction with p-methoxyphenol. The formation of HOCl has been successfully detected not only in an abiotic system but also in an enzymatic system (myeloperoxidase/H(2)O(2)/Cl(-) system) and in living macrophage cells upon stimulation. This new probe might be used as an efficient tool for probing the roles HOCl plays in biological systems.

  DOI：

  10.1021/ol800507m
• 作为产物：
  描述：

  N,N-diethyl-pyrrole-2-carboxamide 、 2-allyloxy-5-methoxybenzaldehyde 在 三氟乙酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 1,2-二氯乙烷 、 二氯甲烷 为溶剂， 反应 0.33h， 以62%的产率得到5-[[5-(diethylcarbamoyl)-1H-pyrrol-2-yl]-(5-methoxy-2-prop-2-enoxyphenyl)methylidene]-N,N-diethylpyrrole-2-carboxamide
  参考文献：
  名称：

  A Highly Specific BODIPY-Based Fluorescent Probe for the Detection of Hypochlorous Acid

  摘要：

  A fluorescent probe, HKOCl-1, has been successfully developed for the detection of hypochlorous acid on the basis of a specific reaction with p-methoxyphenol. The formation of HOCl has been successfully detected not only in an abiotic system but also in an enzymatic system (myeloperoxidase/H(2)O(2)/Cl(-) system) and in living macrophage cells upon stimulation. This new probe might be used as an efficient tool for probing the roles HOCl plays in biological systems.

  DOI：

  10.1021/ol800507m

文献信息

• A Highly Specific BODIPY-Based Fluorescent Probe for the Detection of Hypochlorous Acid
  作者：Zhen-Ning Sun、Feng-Qin Liu、Yan Chen、Paul Kwong Hang Tam、Dan Yang

  DOI：10.1021/ol800507m

  日期：2008.6.5

  A fluorescent probe, HKOCl-1, has been successfully developed for the detection of hypochlorous acid on the basis of a specific reaction with p-methoxyphenol. The formation of HOCl has been successfully detected not only in an abiotic system but also in an enzymatic system (myeloperoxidase/H(2)O(2)/Cl(-) system) and in living macrophage cells upon stimulation. This new probe might be used as an efficient tool for probing the roles HOCl plays in biological systems.