(3R,4S,5S,6S)-5-(5-N-methyl-methanesulfonylamino-2-methoxybenzylamino)-6-diphenylmethyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid | 161366-77-4

• 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: (3R,4S,5S,6S)-5-(5-N-methyl-methanesulfonylamino-2-methoxybenzylamino)-6-diphenylmethyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
• 英文别名: (3R,4S,5S,6S)-6-benzhydryl-5-[[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]methylamino]-1-azabicyclo[2.2.2]octane-3-carboxylic acid
• CAS: 161366-77-4
• 化学式: C₃₁H₃₇N₃O₅S
• 分子量: 563.718
• InChiKey: OUCLVTRZNXYYPP-ATACATFBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• New pharmaceutical combinations for NOS inhibitors
  申请人：Pfizer Inc

  公开号：US20040229911A1

  公开（公告）日：2004-11-18

  The present invention relates to new pharmaceutical uses for compounds that exhibit activity as nitric oxide synthase (NOS) inhibitors. Specifically, it relates to the use of NOS inhibitors, particularly selective neuronal NOS (nNOS) inhibitors, alone or in combination with another active agent, in particular, either an SSRI or an NK-1 receptor antagonist, for the treatment of disorders or conditions the treatment which can be effected or facilitated by altering circadian rhythms. Examples of such disorders and conditions are blindness, obesity, seasonal affective disorder, bipolar disorder; jet lag, circadian sleep rhythms disorder, sleep deprivation, parasomnias, REM sleep disorders, hypersomnia, sleep-wake cycle disorders, narcolepsy and sleep disorders associated with shift work or irregular work schedules; nocturnal enuresis, and restless-legs syndrome.

  本发明涉及表现为一氧化氮合酶（NOS）抑制剂活性的化合物的新药物用途。具体地，涉及使用NOS抑制剂，特别是选择性神经元NOS（nNOS）抑制剂，单独或与另一种活性剂联合使用，特别是SSRI或NK-1受体拮抗剂，用于治疗可以通过改变昼夜节律来达到或促进治疗的疾病或病况。这些疾病和病况的例子包括失明、肥胖症、季节性情感障碍、双相情感障碍、时差反应、昼夜节律睡眠障碍、睡眠剥夺、睡眠障碍、REM睡眠障碍、嗜睡症、睡眠-觉醒周期障碍、嗜睡症和与轮班工作或不规则工作时间表相关的睡眠障碍、夜尿症和不宁腿综合症。
• [EN] NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS<br/>[FR] NOUVELLES COMBINAISONS PHARMACEUTIQUES POUR LES INHIBITEURS DE NOS
  申请人：PFIZER PROD INC

  公开号：WO2000071107A2

  公开（公告）日：2000-11-30

  The present invention relates to new pharmaceutical uses for compounds that exhibit activity as nitric oxide synthase (NOS) inhibitors. Specifically, it relates to the use of NOS inhibitors, particularly selective neuronal NOS (nNOS) inhibitors, alone or in combination with another active agent, in particular, either an SSRI or an NK-1 receptor antagonist, for the treatment of disorders or conditions the treatment which can be effected or facilitated by altering circadian rhythms. Examples of such disorders and conditions are blindness, obesity, seasonal affective disorder, bipolar disorder, jet lag, circadian sleep rhythms disorder, sleep deprivation, parasomnias, REM sleep disorders, hypersomnia, sleep-wake cycle disorders, narcolepsy and sleep disorders associated with shift work or irregular work schedules; nocturnal enuresis, and restless-legs syndrome.

  本发明涉及表现为一氧化氮合酶（NOS）抑制剂的化合物的新药物用途。具体而言，涉及使用NOS抑制剂，特别是选择性神经元NOS（nNOS）抑制剂，单独或与另一活性剂，特别是SSRI或NK-1受体拮抗剂结合使用，治疗可以通过改变昼夜节律来实现或促进的疾病或状况。这些疾病和状况的例子包括失明，肥胖症，季节性情感障碍，双相情感障碍，时差反应，昼夜节律睡眠障碍，睡眠剥夺，睡眠障碍，REM睡眠障碍，嗜睡症，睡眠-清醒周期障碍，嗜睡症和与轮班或不规则工作时间表相关的睡眠障碍；夜尿症和不安腿综合症。
• Substance P antagonists for the treatment of emesis
  申请人：PFIZER INC.

  公开号：EP0627221A2

  公开（公告）日：1994-12-07

  The present invention relates to compounds useful for treating or preventing emesis in mammals, including humans, using certain quinuclidine derivatives, piperidine derivatives, azanorbornane derivatives and related compounds.

  本发明涉及利用某些喹吖啶衍生物、哌啶衍生物、氮杂环戊烷衍生物及相关化合物治疗或预防哺乳动物（包括人类）呕吐的化合物。
• Pharmaceutical agents for treatment or prevention of sunburn
  申请人：PFIZER INC.

  公开号：EP0653208A2

  公开（公告）日：1995-05-17

  The present invention relates to the use of certain quinuclidine derivatives, piperidine derivatives, azanorbornane derivatives and related compounds, for the manufacture of a medicament for the treatment or prevention of sunburn in a mammal (including a human being).

  本发明涉及使用某些喹吖啶衍生物、哌啶衍生物、氮杂环戊烷衍生物及相关化合物制造治疗或预防哺乳动物（包括人类）晒伤的药物。
• Substance P antagonists for the treatment of disorders caused by helicobacter pylori or other spiral urease-positive gram-negative bacteria
  申请人：PFIZER INC.

  公开号：EP0655246A1

  公开（公告）日：1995-05-31

  The present invention relates to a method treating or preventing disorders caused by a spiral urease-positive gram-negative bacterium such as Helicobacter pylori in mammals, including humans, using compounds that are substance P receptor antagonists and, specifically, using certain quinuclidine derivatives, piperidine derivatives, pyrrolidine derivatives, azanorbornane derivatives, ethylene diamine derivatives and related compounds.

  本发明涉及一种治疗或预防哺乳动物（包括人类）中由螺旋尿素酶阳性革兰氏阴性菌（如幽门螺旋杆菌）引起的疾病的方法，该方法使用的化合物是物质 P 受体拮抗剂，特别是使用某些奎宁环衍生物、哌啶衍生物、吡咯烷衍生物、氮基降冰片烷衍生物、乙二胺衍生物和相关化合物。