1-[[3,5-双(三氟甲基)苯基]甲基]-3-苯基哌嗪 | 185110-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-[[3,5-双(三氟甲基)苯基]甲基]-3-苯基哌嗪
• 英文名称: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-phenyl-piperazine
• 英文别名: 1-{[3,5-Bis(trifluoromethyl)phenyl]methyl}-3-phenylpiperazine；1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-phenylpiperazine
• CAS: 185110-03-6
• 化学式: C₁₉H₁₈F₆N₂
• 分子量: 388.356
• InChiKey: OJMSAPUIRBBPAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-[[3,5-双(三氟甲基)苯基]甲基]-3-苯基哌嗪 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-Benzyl-piperidin-1-yl)-1-[4-(3,5-bis-trifluoromethyl-benzyl)-2-phenyl-piperazin-1-yl]-ethanone
  参考文献：
  名称：

  Synthesis and NK1/NK2 binding activities of a series of diacyl-substituted 2-arylpiperazines

  摘要：

  The synthesis and binding affinity for hNK(1) and hNK(2) receptors of a series of diacyl substituted 2-aryl piperazines are described. SAR evaluation led to the racemic derivative 11g as an apparent dual inhibitor. Chiral chromatographic separation of 11g led to the observation that NK1 activity was shown by one enantiomer (13a) and NK2 activity was shown by the other enantiomer (13b). X-ray crystallographic analysis of the crystalline di-BOC derivative of the NK2, active piperazine (15) showed that the 2R configuration was associated with NK2 activity. Further derivatization indicated that dual NK1/NK2 activity could be built into the 2R series. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00645-5
• 作为产物：
  描述：

  2-苯基吡嗪 在 palladium diacetate 、 氢气 、 溶剂黄146 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， -78.0~20.0 ℃ 、344.74 kPa 条件下， 反应 4.0h， 生成 1-[[3,5-双(三氟甲基)苯基]甲基]-3-苯基哌嗪
  参考文献：
  名称：

  Synthesis and NK1/NK2 binding activities of a series of diacyl-substituted 2-arylpiperazines

  摘要：

  The synthesis and binding affinity for hNK(1) and hNK(2) receptors of a series of diacyl substituted 2-aryl piperazines are described. SAR evaluation led to the racemic derivative 11g as an apparent dual inhibitor. Chiral chromatographic separation of 11g led to the observation that NK1 activity was shown by one enantiomer (13a) and NK2 activity was shown by the other enantiomer (13b). X-ray crystallographic analysis of the crystalline di-BOC derivative of the NK2, active piperazine (15) showed that the 2R configuration was associated with NK2 activity. Further derivatization indicated that dual NK1/NK2 activity could be built into the 2R series. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00645-5

文献信息

• Piperazino derivatives as neurokinin antagonists
  申请人：Schering Corporation

  公开号：US05892039A1

  公开（公告）日：1999-04-06

  The invention relates to compounds of the formula ##STR1## These compounds are neurokinin antagonists. These compounds are useful in the treatment of chronic airway diseases such as asthma.

  该发明涉及公式为##STR1##的化合物。这些化合物是神经激肽拮抗剂。这些化合物在治疗慢性气道疾病如哮喘方面是有用的。
• Piperazino derivatives as neurokinn antagonists
  申请人：Schering Corporation

  公开号：US05795894A1

  公开（公告）日：1998-08-18

  The invention relates to compounds of the formula ##STR1## These compounds are neurokinin antagonists. These compounds are useful in the treatment of chronic airway diseases such as asthma.

  该发明涉及公式为##STR1##的化合物。这些化合物是神经激肽拮抗剂。这些化合物在治疗慢性气道疾病如哮喘方面具有用途。
• [EN] PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS<br/>[FR] DERIVES PIPERAZINO EN TANT QU'ANTAGONISTES DES NEUROKININES
  申请人：SCHERING CORPORATION

  公开号：WO1996034864A1

  公开（公告）日：1996-11-07

  (EN) The invention relates to compounds of formula (I). These compounds are neurokinin antagonists. These compounds are useful in the treatment of chronic airway diseases such as asthma.(FR) L'invention concerne des composés de la formule (I), qui sont des antagonistes des neurokinines et sont utiles dans le traitement de maladies chroniques des voies aériennes telles que l'asthme.

  该发明涉及公式（I）的化合物。这些化合物是神经肽拮抗剂。这些化合物在治疗慢性呼吸道疾病，如哮喘方面非常有用。
• Combination treatment for depression and anxiety
  申请人：Pfizer Inc.

  公开号：US20040006135A1

  公开（公告）日：2004-01-08

  The present invention relates to a method of treating depression or anxiety in a mammal, including a human, by administering to the mammal a CNS-penetrant NK-1 receptor antagonist (e.g., a substance P receptor antagonist) in combination with an NK-3 antagonist agent. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier, a CNS-penetrant NK-1 receptor antagonist and an NK-3 antagonist.

  本发明涉及一种治疗哺乳动物（包括人类）的抑郁症或焦虑症的方法，该方法通过给哺乳动物（包括人类）注射一种中枢神经系统渗透的NK-1受体拮抗剂（例如物质P受体拮抗剂）与NK-3拮抗剂药物的组合来实现。本发明还涉及含有药学上可接受载体、中枢神经系统渗透的NK-1受体拮抗剂和NK-3拮抗剂的药物组合物。
• Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist
  申请人：Pfizer Products Inc.

  公开号：EP1192952A2

  公开（公告）日：2002-04-03

  The present invention relates to a method of treating depression or anxiety in a mammal, including a human, by administering to the mammal a CNS-penetrant NK-1 receptor antagonist (e.g. a substance P receptor antagonist) in combination with an NK-3 antagonist agent. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier, a CNS-penetrant NK-1 receptor antagonist and an NK-3 antagonist.

  本发明涉及一种治疗哺乳动物（包括人类）抑郁症或焦虑症的方法，其方法是向哺乳动物施用中枢神经系统穿透性NK-1受体拮抗剂（例如P物质受体拮抗剂）与NK-3拮抗剂联合制剂。它还涉及含有药学上可接受的载体、中枢神经系统穿透性 NK-1 受体拮抗剂和 NK-3 拮抗剂的药物组合物。