5-(1-(4-(ethoxycarbonyl)butyl)pyridinium-4-yl)-10,15,20-tripyridylporphyrinium bromide

• 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: 5-(1-(4-(ethoxycarbonyl)butyl)pyridinium-4-yl)-10,15,20-tripyridylporphyrinium bromide
• 英文别名: 5-(1-(4-(bthoxycarbonyl)butyl)pyridinium-4-yl)-10,15,20-tripyridylporphyrin bromide；Ethyl 5-[4-(10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]pentanoate;bromide；ethyl 5-[4-(10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin-5-yl)pyridin-1-ium-1-yl]pentanoate;bromide
• 化学式: Br*C₄₇H₃₉N₈O₂
• 分子量: 827.783
• InChiKey: PLKOGVHDULGVTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.53
• 重原子数：
  58
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-(1-(4-(ethoxycarbonyl)butyl)pyridinium-4-yl)-10,15,20-tripyridylporphyrinium bromide 、 碘甲烷 以 二甲基亚砜 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  MANGANOPORPHYRIN-POLYPHENOL MULTILAYER CAPSULES AS RADICAL AND REACTIVE OXYGEN SPECIES SCAVENGERS

  摘要：

  本公开提供了一种由多个聚合物双层组成的逐层构成物。每个双层包括聚(N-乙烯基吡咯烷酮)与聚酚（丹宁酸）层之间的氢键结合。在这些构成物中，至少有一个聚(N-乙烯基吡咯烷酮)上结合了多个锰卟啉基团。这些逐层构成物可以沉积在细胞聚集体表面上，或沉积在下层表面上，例如二氧化硅核心的表面上，当去除时，可形成具有空心空间以加入治疗剂的胶囊。

  公开号：

  US20200179294A1
• 作为产物：
  描述：

  5-溴戊酸乙酯 、 5,10,15,20-tetra(4-pyridyl)-21H,23H-porphine 以 乙醇 、 氯仿 为溶剂， 反应 144.0h， 以64%的产率得到5-(1-(4-(ethoxycarbonyl)butyl)pyridinium-4-yl)-10,15,20-tripyridylporphyrinium bromide
  参考文献：
  名称：

  Photosensitizer–peptoid conjugates for photoinactivation of Gram-negative bacteria: structure–activity relationship and mechanistic studies

  摘要：

  制备了一种基于peptoid的抗微生物光动力疗法（aPDT）药物库，并揭示了高效aPDT的结构要求。

  DOI：

  10.1039/d1ob00926e

文献信息

• Preparation of Tetracationic Metalloporphyrin−Spermine Conjugates
  作者：Andreas Jakobs、Jean Bernadou、Bernard Meunier

  DOI：10.1021/jo9620831

  日期：1997.5.1

  The preparation of tetracationic metalloporphyrin precursors for the attachement to DNA binding molecules is reported. Based on a D-4h tetrapyridylporphyrin, such precursors are more accessible than the classical tailored tricationic porphyrin derivatives used as DNA cleavers. meso-Tetrapyridylporphyrin was reacted with ethyl bromopentanoate and methyl iodide to afford a monofunctionalized ester derivative of 1 which was hydrolyzed to the corresponding acid 5. This acid was reacted with spermine and BOP to yield conjugates containing one (6) or two (7) porphyrin units that were metalated with Mn(II) salts to afford the metalloporphyrins 6-Mn and 7-Mn. Furthermore, 6-Mn was linked to 5 to yield a spermine conjugate 8 containing two porphyrin moieties, one of which was metalated. The DNA cleavage activity of these different metalloporphyrins was studied in the presence of KHSO5 with double-stranded phi X174 DNA. Conjugate 5-Mn, the spermine containing compound 6-Mn, and compound 7-Mn which contained two porphyrin moieties showed cleavage activities similar to that of the parent DNA cleaver 1-Mn. The porphyrin conjugate 8 which contained one metalated and one nonmetalated porphyrin had half the efficiency of 1-Mn. None of the synthesized compounds were able to induce direct double-strand breaks in the experimental conditions used.