2-Chloro-N-(3-{10-[3-(2-chloro-acetylamino)-propoxy]-8,16-dioxo-8,16-dihydro-dibenzo[a,j]perylen-2-yloxy}-propyl)-acetamide | 243670-20-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-Chloro-N-(3-{10-[3-(2-chloro-acetylamino)-propoxy]-8,16-dioxo-8,16-dihydro-dibenzo[a,j]perylen-2-yloxy}-propyl)-acetamide
• 英文别名: 2-chloro-N-[3-[[19-[3-[(2-chloroacetyl)amino]propoxy]-9,22-dioxo-6-heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaenyl]oxy]propyl]acetamide
• CAS: 243670-20-4
• 化学式: C₃₈H₃₀Cl₂N₂O₆
• 分子量: 681.572
• InChiKey: QGQYCUJMQOLBKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  48
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Chloro-N-(3-{10-[3-(2-chloro-acetylamino)-propoxy]-8,16-dioxo-8,16-dihydro-dibenzo[a,j]perylen-2-yloxy}-propyl)-acetamide 在 sodium iodide 作用下， 以 丁酮 为溶剂， 反应 1.0h， 以88%的产率得到N,N'-[[2,10-(8,16-dihydro-8,16-dioxodibenzo[a,j]perylene)bis(oxy)]-2,10-ethanediyl]bis-2-iodoacetamide
  参考文献：
  名称：

  Far-Red Dibenzo[a,j]Perylene-8,16-Dione Dyes as Fluorescent Enzyme Substrates and Tags for Biomolecules

  摘要：

  The synthesis of fluorescent 2,10-derivatives of the title chromophore are described. The substituents contain amino-reactive N-hydroxysuccinimde eater and thiol-reactive iodoacetamide groups for attachment to biomolecules. A phosphate derivative was also prepared as an enzyme substrate.

  DOI：

  10.1080/00397910008087092
• 作为产物：
  描述：

  {3-[10-(3-tert-butoxycarbonylamino-propoxy)-8,16-dioxo-8,16-dihydro-dibenzo[a,j]perylen-2-yloxy]-propyl}-carbamic acid tert-butyl ester 在 2,6-二甲基吡啶 作用下， 以 1,4-二氧六环 、 氯仿 为溶剂， 反应 40.0h， 生成 2-Chloro-N-(3-{10-[3-(2-chloro-acetylamino)-propoxy]-8,16-dioxo-8,16-dihydro-dibenzo[a,j]perylen-2-yloxy}-propyl)-acetamide
  参考文献：
  名称：

  Far-Red Dibenzo[a,j]Perylene-8,16-Dione Dyes as Fluorescent Enzyme Substrates and Tags for Biomolecules

  摘要：

  The synthesis of fluorescent 2,10-derivatives of the title chromophore are described. The substituents contain amino-reactive N-hydroxysuccinimde eater and thiol-reactive iodoacetamide groups for attachment to biomolecules. A phosphate derivative was also prepared as an enzyme substrate.

  DOI：

  10.1080/00397910008087092