3-[(1Z,5Z,9Z,14Z)-10,15,20-tris(3-hydroxyphenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenol

• 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
• 英文名称: 3-[(1Z,5Z,9Z,14Z)-10,15,20-tris(3-hydroxyphenyl)-4,11,21,22,23,24-hexahydroporphyrin-5-yl]phenol
• 化学式: C₄₄H₃₄N₄O₄
• 分子量: 682.8
• InChiKey: IWKXCWQHECRRTF-HCVUDOQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  52
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  133
• 氢给体数：
  8
• 氢受体数：
  7

文献信息

• Multifunctional treatment and diagnostic compositions and methods
  申请人：Zamadar Matibur Rahaman

  公开号：US11324826B2

  公开（公告）日：2022-05-10

  Multifunctional compositions and methods are provided for therapeutic treatment of bacteria and cancers and for fluorescence diagnosis. Systems generate in situ reactive oxygen species such as singlet oxygen (1O2), hydroxyl radical (OH) and Juglone, and other chemotherapeutic agents. Methods provided selectively produce greater amounts of one reactive oxygen species over others. Variations are effective in aerobic, anaerobic or H2O2 rich environments and in presence of, or absence of, light. In H2O2 rich environment in absence of light, variations decompose H2O2 into O2 gas to remove excess H2O2 for elimination of hypoxic environment. Variations are formed of porphyrins, naphthalene derivatives, and metal ions, for illustration, free base tetrakis Ar substituted porphyrine core without metal or halide substitution but having hydroxyphenyl and alkyl pyridyl substituents at meso positions combined with dihydroxynaphthalene and +3 hydrated metal ions.

  多功能组合物和方法可用于细菌和癌症的治疗以及荧光诊断。这些系统可在原位产生活性氧，如单线态氧（1O2）、羟自由基（OH）和朱格隆以及其他化疗药物。所提供的方法可选择性地产生比其他方法更多的活性氧。在有氧、无氧或富含 H2O2 的环境中，以及在有光或无光的情况下，各种方法均有效。在富含 H2O2 的无光环境中，变体可将 H2O2 分解为 O2 气体，以清除过量的 H2O2，消除缺氧环境。变体由卟啉、萘衍生物和金属离子组成，例如，无金属或卤化物取代但在中位具有羟基苯基和烷基吡啶取代基的游离基四烷基氩取代卟啉核心与二羟基萘和 +3 水合金属离子结合。
• Multifunctional Treatment And Diagnostic Compositions And Methods
  申请人：Zamadar Matibur Rahaman

  公开号：US20200121791A1

  公开（公告）日：2020-04-23

  Multifunctional compositions and methods are provided for therapeutic treatment of bacteria and cancers and for fluorescence diagnosis. Systems generate in situ reactive oxygen species such as singlet oxygen ( 1 O 2 ), hydroxyl radical (OH) and Juglone, and other chemotherapeutic agents. Methods provided selectively produce greater amounts of one reactive oxygen species over others. Variations are effective in aerobic, anaerobic or H 2 O 2 rich environments and in presence of, or absence of, light. In H 2 O 2 rich environment in absence of light, variations decompose H 2 O 2 into O 2 gas to remove excess H 2 O 2 for elimination of hypoxic environment. Variations are formed of porphyrins, naphthalene derivatives, and metal ions, for illustration, free base tetrakis Ar substituted porphyrine core without metal or halide substitution but having hydroxyphenyl and alkyl pyridyl substituents at meso positions combined with dihydroxynaphthalene and +3 hydrated metal ions.