N-<2-ethyl>-2-<(3-trifluoromethyl)-phenyl>ethylamine | 140890-68-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-<2-ethyl>-2-<(3-trifluoromethyl)-phenyl>ethylamine
• 英文别名: N-[2-(bis(4-fluorophenyl)methylthio)ethyl]-3-(trifluoromethyl)benzeneethanamine；N-[2-[(4,4'-Difluorobenzhydryl)thio]ethyl]-3-(trifluoromethyl)phenethylamine；N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
• CAS: 140890-68-2
• 化学式: C₂₄H₂₂F₅NS
• 分子量: 451.503
• InChiKey: WMNKTEDOCFJGRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 N-<2-ethyl>-2-<(3-trifluoromethyl)-phenyl>ethylamine 在 甲酸 作用下， 以 水 为溶剂， 以80%的产率得到分散柑子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
• 作为产物：
  描述：

  3-(三氟甲基)苯乙醇 在 硫酸 、 氢溴酸 、 potassium carbonate 作用下， 以 various solvent(s) 为溶剂， 反应 96.0h， 生成 N-<2-ethyl>-2-<(3-trifluoromethyl)-phenyl>ethylamine
  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。
• Inhibiting the development of tolerance to and/or dependence on an additive substance
  申请人：VIRGINIA COMMONWEALTH UNIVERSITY

  公开号：EP0608893A1

  公开（公告）日：1994-08-03

  Nontoxic substances that block the N-methyl-D-aspartate (NMDA) receptor, e.g., a morphinan such as dextromethorphan or dextrorphan, or that block a major intracellular consequence of NMDA receptor activation, e.g., a ganglioside such as GM₁ or GT1b, a phenothiazine such as trifluoperazine or a naphthalenesulfonamide such as N-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide, inhibit the development of tolerance to and/or dependence on addictive drugs, e.g., narcotic analgesics such as morphine, codeine, etc.

  阻断 N-甲基-D-天冬氨酸（NMDA）受体的无毒物质，如右美沙芬或右美沙芬等吗啡烷，或阻断 NMDA 受体激活的一种主要细胞内后果的物质，如神经节苷脂，如 GM₁或 GT1b，三氟拉嗪等吩噻嗪，或 N-(6-氨基己烷基)萘磺酰胺等、 神经节苷脂，如 GM₁或 GT1b；吩噻嗪，如三氟拉嗪；或萘磺酰胺，如 N-（6-氨基己基）-5-氯-1-萘磺酰胺；抑制对成瘾性药物，如吗啡、可待因等麻醉性镇痛药的耐受性和/或依赖性。
• Use of NMDA antagonists for the treatment of pain
  申请人：VIRGINIA COMMONWEALTH UNIVERSITY

  公开号：EP0615749A2

  公开（公告）日：1994-09-21

  A method of alleviating pain such as neuropathic pain or acute inflammatory pain is provided which comprises administering to a mammal that is either exhibiting pain or is about to be subjected to a pain-causing event a pain alleviating/pain suppressing amount of at least one nontoxic antagonist for the N-methyl-D-aspartate receptor, e.g., dextrorphan, or metabolic precursor of such antagonist, e.g., dextromethorphan, or at least one nontoxic substance that blocks a major intracellular consequence of N-methyl-D-aspartate receptor activation, e.g., a phenothiazine such as trifluoperazine.

  本发明提供了一种减轻疼痛（如神经性疼痛或急性炎症性疼痛）的方法，该方法包括向表现出疼痛或即将遭受致痛事件的哺乳动物施用至少一种N-甲基-D-天冬氨酸受体无毒拮抗剂（如右美沙芬）或这种拮抗剂的代谢前体（如右美沙芬）或至少一种阻断细胞内主要后果的无毒物质，以减轻疼痛/抑制疼痛、右美沙芬，或这种拮抗剂的代谢前体，如右美沙芬，或至少一种阻断 N-甲基-D-天冬氨酸受体激活的主要细胞内后果的无毒物质，如吩噻嗪，如三氟拉嗪。
• Anticonvulsant containing composition for treating neuropathic pain
  申请人：——

  公开号：US20010008889A1

  公开（公告）日：2001-07-19

  The analgesic effectiveness of an tramadol is significantly enhanced by administering tramadol prior to, with or following the administration of an analgesia enhancer which is a nontoxic NMDA receptor blocker and/or a nontoxic substance that blocks at least one major intracellular consequence of NMDA receptor activation.

  在施用镇痛增强剂（一种无毒的 NMDA 受体阻断剂和/或一种至少能阻断 NMDA 受体激活的一种主要细胞内后果的无毒物质）之前、同时或之后施用曲马多，可显著增强曲马多的镇痛效果。
• COMPOSITION ALLEVIATING PAIN, CONTAINING A NON-NARCOTIC ANALGESIC AND AN ANALGESIA ENHANCER
  申请人：VIRGINIA COMMONWEALTH UNIVERSITY

  公开号：EP0778770B1

  公开（公告）日：2003-12-10