2,3,7,8,12,13,17,18-octakis-[2-(2-ethoxyethoxy)ethylthio]porphyrazine | 1360897-10-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,3,7,8,12,13,17,18-octakis-[2-(2-ethoxyethoxy)ethylthio]porphyrazine
• 英文别名: 4,5,9,10,14,15,19,20-Octakis[2-(2-ethoxyethoxy)ethylsulfanyl]-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaene
• CAS: 1360897-10-4
• 化学式: C₆₄H₁₀₆N₈O₁₆S₈
• 分子量: 1500.12
• InChiKey: AZTPDHXIKDRMAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  96
• 可旋转键数：
  64
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  459
• 氢给体数：
  2
• 氢受体数：
  30

反应信息

• 作为产物：
  描述：

  2,3,7,8,12,13,17,18-octakis-[2-(2-ethoxyethoxy)ethylthio]porphyrazinatomagnesium(II) 在 三氟乙酸 作用下， 反应 0.33h， 以53%的产率得到2,3,7,8,12,13,17,18-octakis-[2-(2-ethoxyethoxy)ethylthio]porphyrazine
  参考文献：
  名称：

  Synthesis, physical–chemical properties and in vitro photodynamic activity against oral cancer cells of novel porphyrazines possessing fluoroalkylthio and dietherthio substituents

  摘要：

  Novel porphyrazines possessing fluoroalkylthio and dietherthio peripheral substituents were synthesized and tested from the peripheral substituent effects on their physical-chemical properties, including metal binding abilities and solvatochromic effects. Two porphyrazines were subjected to singlet oxygen generation measurements using 1,3-diphenylisobenzofuran as a singlet oxygen scavenger and examined in vitro towards oral cancer cells. Biological investigation performed on two human squamous carcinoma cell lines derived from the tongue (HSC-3) and from the buccal mucosa (H413) revealed moderate activity and selectivity of novel magnesium(II) porphyrazine possessing peripheral 4-fluorobutylthio substituents. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.12.003

文献信息

• Synthesis, physical–chemical properties and in vitro photodynamic activity against oral cancer cells of novel porphyrazines possessing fluoroalkylthio and dietherthio substituents
  作者：Jaroslaw Piskorz、Paulina Skupin、Sebastian Lijewski、Maciej Korpusinski、Mateusz Sciepura、Krystyna Konopka、Stanislaw Sobiak、Tomasz Goslinski、Jadwiga Mielcarek

  DOI：10.1016/j.jfluchem.2011.12.003

  日期：2012.3

  Novel porphyrazines possessing fluoroalkylthio and dietherthio peripheral substituents were synthesized and tested from the peripheral substituent effects on their physical-chemical properties, including metal binding abilities and solvatochromic effects. Two porphyrazines were subjected to singlet oxygen generation measurements using 1,3-diphenylisobenzofuran as a singlet oxygen scavenger and examined in vitro towards oral cancer cells. Biological investigation performed on two human squamous carcinoma cell lines derived from the tongue (HSC-3) and from the buccal mucosa (H413) revealed moderate activity and selectivity of novel magnesium(II) porphyrazine possessing peripheral 4-fluorobutylthio substituents. (C) 2011 Elsevier B.V. All rights reserved.