2-(2-{4-[3-(2-trifluoromethyl-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethoxy)-ethanol | 3093-23-0

• 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: 2-(2-{4-[3-(2-trifluoromethyl-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethoxy)-ethanol
• 英文别名: ICI-696；10-<3-(4-(β-Hydroxyethoxy-ethyl)-piperazinyl)-propyl>-2-trifluormethyl-phenothiazin；2-[2-[4-[3-[2-(Trifluoromethyl)-10H-phenothiazine-10-yl]propyl]piperazino]ethoxy]ethanol；2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol
• CAS: 3093-23-0
• 化学式: C₂₄H₃₀F₃N₃O₂S
• 分子量: 481.582
• InChiKey: BQVKHSWJSBZCTN-UHFFFAOYSA-N

物化性质

• 沸点：
  600.4±55.0 °C(Predicted)
• 密度：
  1.256±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.5
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-(2-{4-[3-(2-trifluoromethyl-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethoxy)-ethanol 在 盐酸 、 氯化亚砜 作用下， 以 氯仿 为溶剂， 生成 10-(3-{4-[2-(2-chloro-ethoxy)-ethyl]-piperazin-1-yl}-propyl)-2-trifluoromethyl-10H-phenothiazine
  参考文献：
  名称：

  潜在的中枢神经系统抗肿瘤药-吩噻嗪II：氟吩嗪类似物。

  摘要：

  发现氟奋乃静对腹膜内L-1210和P-388白血病小鼠肿瘤模型具有中等程度的可再现活性。在腹膜内L-1210，P-388和B16黑色素瘤系统以及脑内L-1210中制备了氟奋乃静的7种醚衍生物和8种化合物，其中末端侧链羟基被胺官能团取代。和上皮细胞母细胞瘤脑肿瘤模型。虽然没有观察到实质性的脑内活性，但七种衍生物在腹膜内L-1210或P-388系统中具有可再现的活性。几个给出的T / C值为150％。没有观察到B16黑色素瘤活性。还测试了这些化合物在培养过程中针对L-1210，P-388和KB细胞的细胞毒性。胺类等排体虽然几乎没有体内活性，

  DOI：

  10.1002/jps.2600670209
• 作为产物：
  描述：

  1-甲酰基-4-(3-氯丙基)哌嗪 在 盐酸 、 氯化亚砜 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 4.0h， 生成 2-(2-{4-[3-(2-trifluoromethyl-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethoxy)-ethanol
  参考文献：
  名称：

  ANDERSON, Arzneimittel-Forschung/Drug Research, 1962, vol. 12, p. 937 - 942

  摘要：

  DOI：

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 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.
• GPCR Ligands Identified by Computational Modeling
  申请人：Parrill-Baker Abby L.

  公开号：US20090029949A1

  公开（公告）日：2009-01-29

  Disclosed are pharmacophores for developing and screening compounds having G-protein-coupled receptor antagonist activity, including LPA 1 , LPA 2 , LPA 3 and S1P antagonists. These compositions have therapeutic benefit in the fields of cancer chemotherapy, cardiovascular disease prevention, and fertility protective agents during radiation and chemotherapy.
• 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.