羧基底米鎓 | 66442-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 羧基底米鎓
• 英文名称: 3,8-Diamino-6-(4-carboxy-phenyl)-5-methyl-phenanthridinium
• 英文别名: [6-(4-carboxyphenyl)-3-imino-5-methylphenanthridin-8-yl]azanium
• CAS: 66442-94-2
• 化学式: C₂₁H₁₈N₃O₂
• 分子量: 344.393
• InChiKey: BACYQOWCVRPKAG-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  93.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  羧基底米鎓 在 溶剂黄146 、 N,N'-二环己基碳二亚胺 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)-N-[4-[[2-[[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]amino]acetyl]amino]butyl]benzamide
  参考文献：
  名称：

  Selectivity in binding a phenanthridinium-dinucleotide derivative to homopolynucleotides

  摘要：

  DOI：

  10.1021/ja00414a086
• 作为产物：
  描述：

  4,4’-二硝基-2-联苯胺 在 硫酸 、 氢溴酸 、 铁粉 、 三氯氧磷 作用下， 以 硝基苯 、 氯苯 为溶剂， 反应 9.0h， 生成 羧基底米鎓
  参考文献：
  名称：

  Selectivity in binding a phenanthridinium-dinucleotide derivative to homopolynucleotides

  摘要：

  DOI：

  10.1021/ja00414a086

文献信息

• METHODS AND COMPOSITIONS RELATED TO NUCLEIC ACID BINDING ASSAYS
  申请人：Nubad, LLC

  公开号：US20140024137A1

  公开（公告）日：2014-01-23

  Small molecule fluorescent probes for established drug targets such as nucleic acids including DNA and RNA has been developed and disclosed herein. These nucleic acid probes bind to multiple DNA and RNA structures, and to sites crucial for nucleic acid function, such as DNA and RNA major grooves. Displacement of the probes by other binders such as small molecule compounds and/or proteins illicits a fluorescence change in the probe that once detected and analyzed provide binding information of these other binders of interest. Similarly, changes in fluorescence upon binding of the probes to nucleic acid have been applied to screen nucleic acid of different sequence and conformation. The nucleic acid probes and method of uses disclosed herein are advantageously suitable for high-through put screening of libraries of small molecule compounds, proteins, and nucleic acids.
• US9410186B2
  申请人：——

  公开号：US9410186B2

  公开（公告）日：2016-08-09
• Selectivity in binding a phenanthridinium-dinucleotide derivative to homopolynucleotides
  作者：Robert L. Letsinger、Margaret E. Schott

  DOI：10.1021/ja00414a086

  日期：1981.12