| 1036202-46-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• CAS: 1036202-46-6
• 化学式: C₃₃H₃₄N₆O₅
• 分子量: 594.67
• InChiKey: BBAIGEIUFKIBNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.04
• 重原子数：
  44.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  165.27
• 氢给体数：
  6.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 1.0h， 以100%的产率得到5-[(4-(1-pyrenoylamino)butyl)carbamoyl]-1H-pyrrole-2-carbonylguanidinium trifluoroacetate
  参考文献：
  名称：

  A novel pyrene-guanidiniocarbonyl-pyrrole cation efficiently differentiates between ds-DNA and ds-RNA by two independent, sensitive spectroscopic methods

  摘要：

  At micromolar concentrations and equimolar conditions in respect to basepairs, a novel pyrene-guanidiniocarbonyl-pyrrole cation 1 exhibited a strong ICD signal at about lambda = 300 nm specifically upon the interaction with ds-DNA, while under the same conditions a new fluorescence maximum at lambda = 480 nm appeared exclusively upon the addition of ds-RNA. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.060
• 作为产物：
  描述：

  triethylammonium 5-N-Boc-guanidinocarbonyl-1H-pyrrole-2-carboxylate 、 在 N-甲基吗啉 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以76 mg的产率得到
  参考文献：
  名称：

  A novel pyrene-guanidiniocarbonyl-pyrrole cation efficiently differentiates between ds-DNA and ds-RNA by two independent, sensitive spectroscopic methods

  摘要：

  At micromolar concentrations and equimolar conditions in respect to basepairs, a novel pyrene-guanidiniocarbonyl-pyrrole cation 1 exhibited a strong ICD signal at about lambda = 300 nm specifically upon the interaction with ds-DNA, while under the same conditions a new fluorescence maximum at lambda = 480 nm appeared exclusively upon the addition of ds-RNA. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.060