Cyanomethyl-dimethyl-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium;chloride | 1392821-06-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: Cyanomethyl-dimethyl-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium;chloride
• CAS: 1392821-06-5
• 化学式: C₂₀H₂₁F₃N₃S*Cl
• 分子量: 427.921
• InChiKey: QTPNZUDWYYGNKW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  盐酸三氟丙嗪 、 氯乙腈 在 potassium carbonate 作用下， 以 二氯甲烷 、 水 、 丙酮 为溶剂， 生成 Cyanomethyl-dimethyl-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium;chloride
  参考文献：
  名称：

  Antiviral activity and synthesis of quaternized promazine derivatives against HSV-1

  摘要：

  N-(4-chlorobenzyl)triflupromazinium chloride, a known antitubercular agent, has been found to also be active against HSV-1. A preliminary structure-activity relation has been explored to determine which groups are crucial to viral inhibition. Antiviral assessments such as GFP reduction, plaque reduction, treatment timing and wash-out studies have also been probed to determine a mode of action for QPD-1. Based on this preliminary data, it appears that QPD-1 is a reversible inhibitor, suspected to inhibit early stages of viral replication of HSV-1 at 50 mu M, equipotent to acyclovir. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.06.031

文献信息

• Antiviral activity and synthesis of quaternized promazine derivatives against HSV-1
  作者：Akasha K. Purohit、Matthew D. Balish、Jacob J. Leichty、Ashley Roe、Lori M. Ward、Miguel O. Mitchell、Shao-chung Hsia

  DOI：10.1016/j.bmcl.2012.06.031

  日期：2012.8

  N-(4-chlorobenzyl)triflupromazinium chloride, a known antitubercular agent, has been found to also be active against HSV-1. A preliminary structure-activity relation has been explored to determine which groups are crucial to viral inhibition. Antiviral assessments such as GFP reduction, plaque reduction, treatment timing and wash-out studies have also been probed to determine a mode of action for QPD-1. Based on this preliminary data, it appears that QPD-1 is a reversible inhibitor, suspected to inhibit early stages of viral replication of HSV-1 at 50 mu M, equipotent to acyclovir. (C) 2012 Elsevier Ltd. All rights reserved.