3,7-di(piperidinyl)phenothiazinium chloride | 1259377-37-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3,7-di(piperidinyl)phenothiazinium chloride
• 英文别名: 3,7-Di(piperidin-1-yl)phenothiazin-5-ium chloride；3-piperidin-1-ium-1-ylidene-7-piperidin-1-ylphenothiazine;chloride
• CAS: 1259377-37-1
• 化学式: C₂₂H₂₆N₃S*Cl
• 分子量: 399.988
• InChiKey: DGFGJGGZQBPIIT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  19.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  phenothiazinium tetraiodide 在 IRA-400(Cl) 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 8.5h， 生成 3,7-di(piperidinyl)phenothiazinium chloride
  参考文献：
  名称：

  Synthesis and in vitro antiprotozoal activities of water-soluble, inexpensive phenothiazinium chlorides

  摘要：

  Tropical diseases are serious infectious diseases caused by protozoan parasites in tropical and subtropical regions Novel effective safe and inexpensive drugs are required to treat the parasites and contribute to the global goal of eradication A series of phenothiazinium chlorides were synthesized and evaluated for in vitro activities against Plasmodium falciparum Trypanosoma cruzi Trypanosoma brucei rhodesiense and Leishmania donovani Notably 3 7-bis(piperidinyl)phenothiazinium chloride showed IC50 of 0 097 mu mol L-1 against T cruzi and 3 7-bis(benzyl(methyl)amino)phenothiazinium chloride exhibited IC50 of 0 081 mu mol L-1 against L donovani although the cytotoxicities of these compounds against L-6 cells were observed at low concentration (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.dyepig.2010.09.001