ICI-846 | 1009797-29-8

• 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: ICI-846
• 英文别名: 10-{3-[1-(2-aminoethyl)-4-piperidyl]propyl}-2-trifluoromethylphenothiazine；2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-1-yl]ethanamine
• CAS: 1009797-29-8
• 化学式: C₂₃H₂₈F₃N₃S
• 分子量: 435.557
• InChiKey: SJCZYSWOVHQMKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  10-{3-[1-(2-N-Boc-aminoethyl)-4-piperidyl]propyl}-2-trifluoromethylphenothiazine 在 三氟乙酸 、 水 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 生成 ICI-846
  参考文献：
  名称：

  WO2008/27521

  摘要：

  公开号：

文献信息

• Novel Compositions and Methods of Treating Diseases Using the Same
  申请人：Roth Stephen

  公开号：US20120035161A1

  公开（公告）日：2012-02-09

  The invention includes compositions and methods for inhibiting proliferation and inducing apoptosis in activated lymphocytes, treating diseases associated with activated lymphocytes, or treating PAH.

  本发明涉及抑制活化淋巴细胞增殖和诱导凋亡的组合物和方法，用于治疗与活化淋巴细胞相关的疾病或治疗PAH。
• NOVEL COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES RELATED TO ACTIVATED LYMPHOCYTES
  申请人：Immune Control, Inc.

  公开号：EP2061788A1

  公开（公告）日：2009-05-27
• Novel methods for treatment of diseases related to activated lymphocytes
  申请人：Roth Stephen

  公开号：US20080125415A1

  公开（公告）日：2008-05-29

  The present invention relates to inhibiting proliferation and inducing apoptosis in activated lymphocytes, including T cells and B cells. The invention also provides compositions and methods for inhibiting proliferation and inducing apoptosis in activated lymphocytes, as well methods for treating diseases associated with activated lymphocytes by administering 5-HT receptor antagonists.
• Novel compositions for treatment of diseases related to activated lymphocytes
  申请人：Roth Stephen

  公开号：US20080132697A1

  公开（公告）日：2008-06-05

  The present invention relates to inhibiting proliferation and inducing apoptosis in activated lymphocytes, including T cells and B cells. The invention also provides compositions and methods for inhibiting proliferation and inducing apoptosis in activated lymphocytes, as well methods for treating diseases associated with activated lymphocytes by administering 5-HT receptor antagonists.
• Novel Compositions and Methods for Binding and Inhibiting 5-HT4 Receptor
  申请人：Roth Stephen

  公开号：US20100035858A1

  公开（公告）日：2010-02-11

  The present invention relates to compositions that bind to 5-HT4 receptors and inhibit proliferation of activated lymphocytes. The invention also provides methods for inhibiting proliferation and inducing cell death in activated immune cells, as well methods for treating diseases associated with activated immune cells by administering 5-HT4 receptor ligands.