3-amino-6-nitro-thioxanthen-9-one | 936487-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: 3-amino-6-nitro-thioxanthen-9-one
• 英文别名: 3-nitro-6-(amino)-9H-thioxanthen-9-one；3-Amino-6-nitro-9H-thioxanthen-9-one；3-amino-6-nitrothioxanthen-9-one
• CAS: 936487-76-2
• 化学式: C₁₃H₈N₂O₃S
• 分子量: 272.284
• InChiKey: DQUUMYFKCDPKOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  544.9±50.0 °C(Predicted)
• 密度：
  1.545±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-amino-6-nitro-thioxanthen-9-one 在 tin chloride dihydrate 作用下， 以 乙醇 为溶剂， 以32%的产率得到3,6-diamino-9H-thioxanthen-9-one
  参考文献：
  名称：

  Combinatorial Rosamine Library and Application to in Vivo Glutathione Probe

  摘要：

  Combinatorial approach on fluorescent rosamine library was developed using solid-phase chemistry. A highly selective library member (H22) toward reduced glutathione (GSH) was discovered, demonstrating the capability of in vivo GSH level sensing in live cells.

  DOI：

  10.1021/ja068230m
• 作为产物：
  描述：

  2-氯-4-硝基苯甲酸 在 铜 、 potassium carbonate 作用下， 以 硫酸 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-amino-6-nitro-thioxanthen-9-one
  参考文献：
  名称：

  Combinatorial Rosamine Library and Application to in Vivo Glutathione Probe

  摘要：

  Combinatorial approach on fluorescent rosamine library was developed using solid-phase chemistry. A highly selective library member (H22) toward reduced glutathione (GSH) was discovered, demonstrating the capability of in vivo GSH level sensing in live cells.

  DOI：

  10.1021/ja068230m

文献信息

• COMBINATORIAL ROSAMINE LIBRARY AND USES THEREOF
  申请人：Chang Young-Tae

  公开号：US20080124751A1

  公开（公告）日：2008-05-29

  The present invention relates to a rosamine derivative compound, as described herein, having the following structure: Also disclosed are methods of making such compounds and for using them for detection and imaging.

  本发明涉及一种罗萨明衍生物化合物，具有以下结构：此外，还公开了制备这种化合物的方法以及将其用于检测和成像的方法。
• COMBINATORIAL ROSAMINE LIBRARY TO DETECT CELL-STATE SWITCHING
  申请人：CHANG Young-Tae

  公开号：US20090227467A1

  公开（公告）日：2009-09-10

  The present invention relates to the use of rosamine derivative compounds, as described herein, in detecting differentiated forms of a cell type of interest in a sample and in screening for compounds which inhibit differentiation of the cell type of interest. The candidate compound has the following structure:

  本发明涉及使用如下所述的罗萨明衍生物化合物在样本中检测感兴趣的细胞类型的分化形式，并筛选抑制该细胞类型分化的化合物。候选化合物具有以下结构：
• US8026110B2
  申请人：——

  公开号：US8026110B2

  公开（公告）日：2011-09-27
• US8951938B2
  申请人：——

  公开号：US8951938B2

  公开（公告）日：2015-02-10
• Combinatorial Rosamine Library and Application to in Vivo Glutathione Probe
  作者：Young-Hoon Ahn、Jun-Seok Lee、Young-Tae Chang

  DOI：10.1021/ja068230m

  日期：2007.4.1

  Combinatorial approach on fluorescent rosamine library was developed using solid-phase chemistry. A highly selective library member (H22) toward reduced glutathione (GSH) was discovered, demonstrating the capability of in vivo GSH level sensing in live cells.