N,N'-bis-(2,6-diisopropylphenyl)-1,6,7,12-tetra-(4-prop-2-ynyloxy-phenoxy)perylene-3,4:9,10-tetracarboxydiimide | 1415048-51-9

• 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: N,N'-bis-(2,6-diisopropylphenyl)-1,6,7,12-tetra-(4-prop-2-ynyloxy-phenoxy)perylene-3,4:9,10-tetracarboxydiimide
• CAS: 1415048-51-9
• 化学式: C₈₄H₆₆N₂O₁₂
• 分子量: 1295.45
• InChiKey: SBFQDEBKCUUVHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.05
• 重原子数：
  98.0
• 可旋转键数：
  22.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  148.6
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  6-azido-6-deoxy-1,2:3,4-di-O-isopropylidene-D-galactopyranose 、 N,N'-bis-(2,6-diisopropylphenyl)-1,6,7,12-tetra-(4-prop-2-ynyloxy-phenoxy)perylene-3,4:9,10-tetracarboxydiimide 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 乙醇 、 氯仿 、 水 为溶剂， 反应 24.0h， 以63%的产率得到
  参考文献：
  名称：

  Water soluble fluorescent-magnetic perylenediimide-containing maghemite-nanoparticles for bimodal MRI/OI imaging

  摘要：

  The protein shell of apoferritin-encapsulated maghemite nanoparticles was functionalized with two different red-emitting perylenediimide fluorophores (PDI). One glycosacharide-PDI complex has been synthesized for the first time to be labeled to apoferritin-encapsulated maghemite nanoparticles. Bifunctionality of maghemite@perylenediimide was demonstrated by both magnetic-core and fluorescent-labeled shell properties. SQUID measurements confirmed superparamagnetic behavior above 35 K. Fluorescence of perylenediimides is retained once attached to the magnetic nanoparticle. Moreover, fluorescence microscopy showed that one of these fluorescent-magnetic nanoparticles was specifically internalized in bifidobacteria without affecting cell viability. These results revealed that the dual-modal imaging probes of maghemite@perylenediimide nanoparticles have the potential to be used as optical/MR dual imaging agents. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2012.09.003
• 作为产物：
  描述：

  4-(prop-2-yn-1-yloxy)phenol 、 染料红620 在 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 8.0h， 以56%的产率得到N,N'-bis-(2,6-diisopropylphenyl)-1,6,7,12-tetra-(4-prop-2-ynyloxy-phenoxy)perylene-3,4:9,10-tetracarboxydiimide
  参考文献：
  名称：

  Water soluble fluorescent-magnetic perylenediimide-containing maghemite-nanoparticles for bimodal MRI/OI imaging

  摘要：

  The protein shell of apoferritin-encapsulated maghemite nanoparticles was functionalized with two different red-emitting perylenediimide fluorophores (PDI). One glycosacharide-PDI complex has been synthesized for the first time to be labeled to apoferritin-encapsulated maghemite nanoparticles. Bifunctionality of maghemite@perylenediimide was demonstrated by both magnetic-core and fluorescent-labeled shell properties. SQUID measurements confirmed superparamagnetic behavior above 35 K. Fluorescence of perylenediimides is retained once attached to the magnetic nanoparticle. Moreover, fluorescence microscopy showed that one of these fluorescent-magnetic nanoparticles was specifically internalized in bifidobacteria without affecting cell viability. These results revealed that the dual-modal imaging probes of maghemite@perylenediimide nanoparticles have the potential to be used as optical/MR dual imaging agents. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2012.09.003