N,N'-bis{3-[(pyren-1-ylmethyl)carbamoyl]-5-(dodecylcarbamoyl)benzyl}pyridine-2,6-dicarboxamide | 1093405-86-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N,N'-bis{3-[(pyren-1-ylmethyl)carbamoyl]-5-(dodecylcarbamoyl)benzyl}pyridine-2,6-dicarboxamide
• 英文别名: 2-N,6-N-bis[[3-(dodecylcarbamoyl)-5-(pyren-1-ylmethylcarbamoyl)phenyl]methyl]pyridine-2,6-dicarboxamide
• CAS: 1093405-86-7
• 化学式: C₈₃H₉₁N₇O₆
• 分子量: 1282.68
• InChiKey: VYJJXUHYGYAJMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.5
• 重原子数：
  96
• 可旋转键数：
  36
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  188
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,6-氯甲酰吡啶 、 5-(aminomethyl)-N1-dodecyl-N3-(pyren-1-ylmethyl)isophthalamide 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以80%的产率得到N,N'-bis{3-[(pyren-1-ylmethyl)carbamoyl]-5-(dodecylcarbamoyl)benzyl}pyridine-2,6-dicarboxamide
  参考文献：
  名称：

  A Fluorescence Sensor for Detection of Geranyl Pyrophosphate by the Chemo-Ensemble Method

  摘要：

  Hexaamide receptor 4 and coumarin phosphate 5 form an ensemble for effective sensing of geranyl pyrophosphate (GPP). Fluorescence resonance energy transfer in the 4 + 5 ensemble diminishes when 5 is replaced by GPP. Receptor 4 binds selectively with GPP over other anions, including fatty acids. The 4-GPP complex in 1: 1 stoichiometry is inferred by NMR and fluorescence titrations. Receptor 4 contains a pseudotetrahedral cleft to accommodate GPP via Multiple hydrogen bonds, and the two aliphatic chains exert additional hydrophobic interactions.

  DOI：

  10.1021/jo802173b

文献信息

• A Fluorescence Sensor for Detection of Geranyl Pyrophosphate by the Chemo-Ensemble Method
  作者：Kuan-Hung Chen、Jen-Hai Liao、Hsin-Yu Chan、Jim-Min Fang

  DOI：10.1021/jo802173b

  日期：2009.1.16

  Hexaamide receptor 4 and coumarin phosphate 5 form an ensemble for effective sensing of geranyl pyrophosphate (GPP). Fluorescence resonance energy transfer in the 4 + 5 ensemble diminishes when 5 is replaced by GPP. Receptor 4 binds selectively with GPP over other anions, including fatty acids. The 4-GPP complex in 1: 1 stoichiometry is inferred by NMR and fluorescence titrations. Receptor 4 contains a pseudotetrahedral cleft to accommodate GPP via Multiple hydrogen bonds, and the two aliphatic chains exert additional hydrophobic interactions.