分散柑子69 | 146931-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 分散柑子69
• 英文名称: N-methyl-N-<2-ethyl>-2-(3-trifluoromethylphenyl)ethylamine
• 英文别名: N-(2-(Bis(4-fluorophenyl)methylthio)ethyl)-N-methyl-N-(2-phenyl)ethylamine；N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
• CAS: 146931-13-7
• 化学式: C₂₅H₂₄F₅NS
• 分子量: 465.53
• InChiKey: BLCSDOWPASKKAF-UHFFFAOYSA-N

物化性质

• 沸点：
  489.3±45.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  28.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-(三氟甲基)苯乙醇 在 甲酸 、 硫酸 、 氢溴酸 、 potassium carbonate 作用下， 以 水 为溶剂， 反应 96.0h， 生成 分散柑子69
  参考文献：
  名称：

  New prenylamine-analogues: investigations of their influence on calcium-dependent biological systems

  摘要：

  Chemically, prenylamine belongs to the diphenylalkylamine class. Compounds of this class are calcium antagonists with a broad spectrum of activities due to their influence on both extracellular and intracellular sites. In the present study the calcium antagonistic profile of a recently developed new series of prenylamine analogues has been investigated using different in vitro systems. The inhibiting concentrations for the most active compound are almost-equal-to 1.5 muM; several derivatives are inactive up to a concentration of 10 muM. Structural modifications towards an increase of lipophilicity make these molecules interact (inhibition) with the intracellular calcium-binding protein calmodulin; for the series no correlation between calcium-blocking and calmodulin antagonistic effects has been found.

  DOI：

  10.1016/0223-5234(93)90086-t

文献信息

• Benzhydryl derivatives having calmodulin inhibitor properties
  申请人：Akzo Nobel N.V.

  公开号：EP0467435A2

  公开（公告）日：1992-01-22

  The invention relates to a benzhydryl derivative having the formula wherein each of the groups Ri, R2, and R3 represents one to four substituents independently selected from the group consisting of hydrogen, lower alkyl, halogen, and CF3, and at least one of the groups Ri, R2, and R3 is halogen or CF3; R4 represents hydrogen or methyl; n is 2, 3, or 4; m is 1, 2, or 3; and X represents O or S; or its pharmaceutically acceptable salts. The benzhydryl derivative of the invention can be used to treat patients who are suffering from diseases which are influenced by calmodulin.

  本发明涉及一种具有以下式子的苯甲酰衍生物 其中每个基团 Ri、R2 和 R3 代表一至四个取代基，这些取代基独立地选自氢、低级烷基、卤素和 CF3 组成的组，且至少一个基团 Ri、R2 和 R3 是卤素或 CF3； R4 代表氢或甲基； n 是 2、3 或 4； m 是 1、2 或 3；以及 X 代表 O 或 S； 或其药学上可接受的盐类。 本发明的苄基衍生物可用于治疗受钙调素影响的疾病患者。
• US5171752A
  申请人：——

  公开号：US5171752A

  公开（公告）日：1992-12-15
• New prenylamine-analogues: investigations of their influence on calcium-dependent biological systems
  作者：P Caldirola、P Zandberg、R Mannhold、H Timmerman

  DOI：10.1016/0223-5234(93)90086-t

  日期：1993.1

  Chemically, prenylamine belongs to the diphenylalkylamine class. Compounds of this class are calcium antagonists with a broad spectrum of activities due to their influence on both extracellular and intracellular sites. In the present study the calcium antagonistic profile of a recently developed new series of prenylamine analogues has been investigated using different in vitro systems. The inhibiting concentrations for the most active compound are almost-equal-to 1.5 muM; several derivatives are inactive up to a concentration of 10 muM. Structural modifications towards an increase of lipophilicity make these molecules interact (inhibition) with the intracellular calcium-binding protein calmodulin; for the series no correlation between calcium-blocking and calmodulin antagonistic effects has been found.