N-(7-(dimethylamino)-9,9-dimethyl-10-(phenylethynyl)-anthracen-2(9H)-ylidene)-N-methylmethanaminium chloride | 1588767-67-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: N-(7-(dimethylamino)-9,9-dimethyl-10-(phenylethynyl)-anthracen-2(9H)-ylidene)-N-methylmethanaminium chloride
• CAS: 1588767-67-2
• 化学式: C₂₈H₂₉N₂*Cl
• 分子量: 429.005
• InChiKey: TWFZFXFKGMXLAL-UHFFFAOYSA-M

物化性质

• 熔点：
  231-233 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  31.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  6.25
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  3,6-bis(dimethylamino)-10,10-dimethyl-9H-anthracen-9-ol 在 potassium permanganate 、 正丁基锂 作用下， 以 四氢呋喃 、 环己烷 、 丙酮 为溶剂， 反应 3.5h， 生成 N-(7-(dimethylamino)-9,9-dimethyl-10-(phenylethynyl)-anthracen-2(9H)-ylidene)-N-methylmethanaminium chloride
  参考文献：
  名称：

  Near-Infrared Fluorescent 9-Phenylethynylpyronin Analogues for Bioimaging

  摘要：

  The syntheses and biological applications of two novel fluorescent 9-phenylethynylpyronin analogues containing either carbon or silicon at the position 10 are reported. Both fluorescent probes exhibited a relatively strong fluorescence in methanol and phosphate buffer saline in the near-infrared region (705-738 nm) upon irradiation of either of their absorption maxima in the blue and red regions. The compounds showed high selectivity toward mitochondria in myeloma cells in vivo and allowed their visualization in a favored tissue-transparent window, which makes them promising NIR fluorescent tags for applications in bioimaging.

  DOI：

  10.1021/jo500140y