(+,)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[2-(4-hydroxy-4-phenyl-1-piperidinyl)acetyl]-2-phenylpiperazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (+,)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[2-(4-hydroxy-4-phenyl-1-piperidinyl)acetyl]-2-phenylpiperazine
• 英文别名: 1-[2-Oxo-2-[2-phenyl-4-[3,5-bis(trifluoromethyl)benzyl]piperazino]ethyl]-4-phenylpiperidine-4-ol；1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
• 化学式: C₃₂H₃₃F₆N₃O₂
• 分子量: 605.623
• InChiKey: BYJNFQLUTHDZAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-苯基哌嗪 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (+,)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[2-(4-hydroxy-4-phenyl-1-piperidinyl)acetyl]-2-phenylpiperazine
  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 NEUROKININ ANTAGONISTS
  申请人：SCHERING CORPORATION

  公开号：EP0927170A1

  公开（公告）日：1999-07-07
• [EN] PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS<br/>[FR] DERIVES PIPERAZINO A FONCTION ANTAGONISTE DE LA NEUROKININE
  申请人：SCHERING CORPORATION

  公开号：WO1998008826A1

  公开（公告）日：1998-03-05

  (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) La présente invention concerne des composés représentés par la formule générale (I). Ces composés, qui sont des antagonistes de la neurokinine, conviennent particulièrement au traitement des affections chroniques des voies aériennes, et notamment au traitement de l'asthme.