1-(4-{(3S,4R)-3-(4-chloro-phenyl)-4-[1-((S)-5-chloro-pyridin-2-yloxy)-ethyl]-pyrrolidine-1-carbonyl}-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-yl)-ethanone | 1268692-60-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(4-{(3S,4R)-3-(4-chloro-phenyl)-4-[1-((S)-5-chloro-pyridin-2-yloxy)-ethyl]-pyrrolidine-1-carbonyl}-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-yl)-ethanone
• 英文别名: 1-[6-[4-[(3S,4R)-3-(4-chlorophenyl)-4-[(1S)-1-(5-chloropyridin-2-yl)oxyethyl]pyrrolidine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]ethanone
• CAS: 1268692-60-9
• 化学式: C₃₀H₃₂Cl₂N₄O₃
• 分子量: 567.515
• InChiKey: KQNWRUKQZOLTFD-MHBGZZOHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  75.6
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRROLIDINE COMME ANTAGONISTES DES RÉCEPTEURS NK-3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011023626A1

  公开（公告）日：2011-03-03

  The present invention relates to a compounds of formula (I) wherein R1 is hydrogen or lower alkyl; R2 is hydrogen, lower alkyl, lower alkyl substituted by halogen or is halogen or CN, and may be independently from each other if o is 2; Ar1 is aryl or heteroaryl; Ar2 is aryl or heteroaryl; R'/R" are independently from each other hydrogen, lower alkyl, lower alkoxy, halogen, C(O)- lower alkyl, cyano or lower alkyl substituted by halogen; m is 0, 1, or 2 when n is 0; or m is 0 or 1 when n is 1; n is 0 or 1; o is 1 or 2; or to pharmaceutically active salts, racemic mixtures, enantiomers, optical isomers or to tautomeric forms thereof. It has been found that the present compounds are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).

  本发明涉及式(I)的化合物，其中R1为氢或较低烷基；R2为氢、较低烷基、受卤素取代的较低烷基或卤素或CN，如果o为2，则它们可以彼此独立；Ar1为芳基或杂环芳基；Ar2为芳基或杂环芳基；R'/R"彼此独立地为氢、较低烷基、较低烷氧基、卤素、C(O)-较低烷基、氰基或受卤素取代的较低烷基；当n为0时，m为0、1或2；当n为1时，m为0或1；n为0或1；o为1或2；或其药用活性盐、消旋混合物、对映体、光学异构体或其互变异构体。已发现这些化合物是治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑症和注意力缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。
• PYRROLIDINES AS NK3 RECEPTOR ANTAGONISTS
  申请人：Jablonski Philippe

  公开号：US20110053948A1

  公开（公告）日：2011-03-03

  The present invention relates to a compounds of formula I wherein R 1 , R 2 , Ar 1 , Ar 2 , R′, R″, m, n, and o are defined in the specification or to a pharmaceutically active salt, racemic mixture, enantiomer, optical isomer or to tautomeric form thereof. The present compounds are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).

  本发明涉及一种具有以下式I的化合物，其中R1、R2、Ar1、Ar2、R′、R″、m、n和o在规范中定义，或者涉及其药用活性盐、拉克米混合物、对映体、光学异构体或其互变异构体。本化合物是高潜力的NK-3受体拮抗剂，用于治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑和注意力缺陷多动障碍（ADHD）。
• PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2470524A1

  公开（公告）日：2012-07-04
• US8394834B2
  申请人：——

  公开号：US8394834B2

  公开（公告）日：2013-03-12