12,13-diacetyl-7,18-dihydroxy-5,10,15,20-tetramethoxyhexacyclo[12.8.0.0²,¹¹.0³,⁸.0⁴,²¹.0¹⁷,²²]docosa-1,3,5,7,10,14,17(22),18,20-nonaene-9,16-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 苝醌类
• 英文名称: 12,13-diacetyl-7,18-dihydroxy-5,10,15,20-tetramethoxyhexacyclo[12.8.0.0²,¹¹.0³,⁸.0⁴,²¹.0¹⁷,²²]docosa-1,3,5,7,10,14,17(22),18,20-nonaene-9,16-dione
• 英文别名: elsinochrome A
• 化学式: C₃₀H₂₄O₁₀
• 分子量: 544.515
• InChiKey: WTZSLZBEQHGTRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  40.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  145.66
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  12,13-diacetyl-7,18-dihydroxy-5,10,15,20-tetramethoxyhexacyclo[12.8.0.0²,¹¹.0³,⁸.0⁴,²¹.0¹⁷,²²]docosa-1,3,5,7,10,14,17(22),18,20-nonaene-9,16-dione 、 乙二胺 以 乙醇 为溶剂， 反应 12.0h， 以35%的产率得到
  参考文献：
  名称：

  The synthesis and characterization of ethylenediamine-modified Elsinochrome A

  摘要：

  To overcome the lack of appreciable absorption in the phototherapeutic window (600-900 nm) of the naturally occurring perylenequinonoid pigment, Elsinochrome A, which limits its clinical application, an ethylenediamine-modified elsinochrome A, possessing long wavelength absorption (708 nm) was synthesized. Electron paramagnetic resonance and chemiluminescence assays indicated that ethylenediamine-modified Elsinochrome A possessed photosensitizing activity and its photodamage efficacy is greater than that of unmodified Elsinochrome A. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2010.03.004