{4-[8-(4-methyl-piperazin-1-yl)-5,6,7,8-tetrahydro-naphthalen-2-yl]-piperidin-1-yl}-(4-trifluoromethyl-phenyl)-methanone

• 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: {4-[8-(4-methyl-piperazin-1-yl)-5,6,7,8-tetrahydro-naphthalen-2-yl]-piperidin-1-yl}-(4-trifluoromethyl-phenyl)-methanone
• 英文别名: [4-[8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
• 化学式: C₂₈H₃₄F₃N₃O
• 分子量: 485.593
• InChiKey: CSDXFXIAKYOQTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-methyl-4-(7-piperidin-4-yl-1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazine 、 4-三氟甲基苯甲酸 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 、 二氯甲烷 为溶剂， 反应 4.0h， 以51%的产率得到{4-[8-(4-methyl-piperazin-1-yl)-5,6,7,8-tetrahydro-naphthalen-2-yl]-piperidin-1-yl}-(4-trifluoromethyl-phenyl)-methanone
  参考文献：
  名称：

  [EN] TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS
  [FR] TETRAHYDRONAPHTHYLPIPER- AZINES UTILISEES EN TANT QU'AGONISTES INVERSES, AGONISTES PARTIELS ET ANTAGONISTES DE 5-HT1B

  摘要：

  本发明涉及新型四氢萘哌嗪衍生物，即式(I)中R1、R2和R6如本文所定义，X为CH2或O，A为下图所示的式(G1、G2、G2a、G3、G4、G5或G6)的基团，D为式(D)的基团，其中Y、W和Z为C或N，R7如本文所定义，以及它们的盐和组合物，包括选择性5-羟色胺1(5-HT1)受体的拮抗剂、逆向激动剂和部分激动剂。本发明的化合物在治疗或预防抑郁症、焦虑症、强迫症(OCD)和其他需要5-HT1激动剂或拮抗剂的疾病中具有用途。

  公开号：

  WO2005113527A1

文献信息

• Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists
  申请人：Brodney A. Michael

  公开号：US20050288304A1

  公开（公告）日：2005-12-29

  The present invention relates to novel tetrahydronaphthylpiperazines derivatives, that are compounds of the formula I wherein R 1 , R 2 and R 6 are as defined herein, X is CH 2 or O, A is a group of the formula G 1 , G 2 , G 2a , G 3 , G 4 , G 5 or G 6 depicted below, and D is a group of the formula D, wherein Y, W and Z are C or N and wherein R 7 is as defined herein and their salts and compositions which include selective antagonists, inverse agonists and partial agonists of serotonin 1 (5-HT 1 ) receptors. Compounds of the invention are useful in treating or preventing depression, anxiety, obsessive compulsive disorder (OCD) and other disorders for which a 5-HT 1 agonist or antagonist is indicated.

  本发明涉及新型四氢萘基哌嗪衍生物，其为式I的化合物 其中R1，R2和R6如本文所定义，X为CH2或O，A为下列式G1，G2，G2a，G3，G4，G5或G6的基团， D为式D的基团，其中Y，W和Z为C或N，R7如本文所定义，以及它们的盐和组合物，包括选择性拮抗剂、反向激动剂和部分激动剂5-HT1受体。本发明中的化合物可用于治疗或预防抑郁症、焦虑症、强迫症和其他需要5-HT1激动剂或拮抗剂的疾病。
• [EN] TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS<br/>[FR] TETRAHYDRONAPHTHYLPIPER- AZINES UTILISEES EN TANT QU'AGONISTES INVERSES, AGONISTES PARTIELS ET ANTAGONISTES DE 5-HT1B
  申请人：PFIZER PROD INC

  公开号：WO2005113527A1

  公开（公告）日：2005-12-01

  The present invention relates to novel tetrahydronaphthylpiperazines derivatives, that are compounds of the formula (I) wherein R1, R2 and R6 are as defined herein, X is CH2 or O, A is a group of the formula (G1, G2, G2a, G3, G4, G5 or G6) depicted below, and D is a group of the formula (D), wherein Y, W and Z are C or N and wherein R7 is as defined herein and their salts and compositions which include selective antagonists, inverse agonists and partial agonists of serotonin 1 (5-HT1) receptors. Compounds of the invention are useful in treating or preventing depression, anxiety, obsessive compulsive disorder (OCD) and other disorders for which a 5-HT1 agonist or antagonist is indicated.

  本发明涉及新型四氢萘哌嗪衍生物，即式(I)中R1、R2和R6如本文所定义，X为CH2或O，A为下图所示的式(G1、G2、G2a、G3、G4、G5或G6)的基团，D为式(D)的基团，其中Y、W和Z为C或N，R7如本文所定义，以及它们的盐和组合物，包括选择性5-羟色胺1(5-HT1)受体的拮抗剂、逆向激动剂和部分激动剂。本发明的化合物在治疗或预防抑郁症、焦虑症、强迫症(OCD)和其他需要5-HT1激动剂或拮抗剂的疾病中具有用途。