[(3R,4R)-4-(4-chloro-phenyl)-3-(5-chloro-pyridin-2-yloxymethyl)-3-methyl-pyrrolidin-1-yl]-[1-(6-methoxy-pyridazin-3-yl)-piperidin-4-yl]-methanone | 1354561-45-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [(3R,4R)-4-(4-chloro-phenyl)-3-(5-chloro-pyridin-2-yloxymethyl)-3-methyl-pyrrolidin-1-yl]-[1-(6-methoxy-pyridazin-3-yl)-piperidin-4-yl]-methanone
• 英文别名: [(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidin-1-yl]-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]methanone
• CAS: 1354561-45-7
• 化学式: C₂₈H₃₁Cl₂N₅O₃
• 分子量: 556.492
• InChiKey: GLRIOVWUOQEVPB-QDPGVEIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  80.7
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] (3 -METHYLPYRROLIDIN- 3 - YL) METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE (3-MÉTHYLPYRROLIDINE-3-YL) MÉTHYL PYRIDINYLE ÉTHER ET LEUR UTILISATION COMME ANTAGONISTES DU RÉCEPTEUR NK-3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012004207A1

  公开（公告）日：2012-01-12

  The invention relates to a compound of general formula : (I) wherein A is selected from the groups (a), (b) or (c): formula (II) or formula (III) (b) or is cycloalkyl, (c) optionally substituted by lower alkyl (c);Ar1 is phenyl or a six membered heteroaryl;X1 is N or CH; X2 is N-R1 or O; R1 is S(O)2-lower alkyl, C(O)-cycloalkyl substituted by lower alkyl, or is C(O)-lower alkyl, lower alkyl, cyano, cycloalkyl or is a six membered heteroaryl substituted by lower alkyl, cyano, C(O)-lower alkyl, halogen, lower alkyl substituted by halogen or lower alkoxy; or is phenyl substituted by cyano or halogen; R2 is lower alkyl, halogen, pyrazolyl, 3-methyl-[1,2,4]oxazolyl, 5-methyl-[1,2,4]oxadiazol-3-yl, pyridyl substituted by cyano, or is phenyl substituted by halogen, or is cyano, lower alkoxy, or is piperidin-2-one; or to pharmaceutically active salts, sterioisomeric forms, including individual diastereoisomers and enantiomers of the compound of formula I as well as racemic and non-racemic mixtures thereof..It has been found that the present compounds are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinsons disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).

  该发明涉及一般式(I)的化合物，其中A选自(a)、(b)或(c)组：式(II)或式(III) (b)或是环烷基，(c)可选择由较低烷基取代的环烷基；Ar1是苯或六元杂环烷基；X1是N或CH；X2是N-R1或O；R1是S(O)2-较低烷基，C(O)-环烷基取代的较低烷基，或是C(O)-较低烷基，较低烷基，氰基，环烷基或是由较低烷基，氰基，C(O)-较低烷基，卤素，由卤素取代的较低烷基或较低烷氧基取代的六元杂环烷基；或是由氰基或卤素取代的苯；R2是较低烷基，卤素，吡唑基，3-甲基-[1,2,4]噁唑基，5-甲基-[1,2,4]噁二唑-3-基，由氰基取代的吡啶基，或是由卤素取代的苯，或是氰基，较低烷氧基，或是哌啶-2-酮；或是药用盐，立体异构体形式，包括一般式I化合物的各个对映体和对映异构体以及它们的混合物。已发现这些化合物是高潜力的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、焦虑症和注意力缺陷多动障碍（ADHD）。
• METHYL-PYRROLIDINE ETHER DERIVATIVES
  申请人：Nettekoven Matthias

  公开号：US20120010212A1

  公开（公告）日：2012-01-12

  The invention relates to a compound of formula wherein A is defined herein or to pharmaceutically active salts, stereoisomeric forms, including individual diastereoisomers and enantiomers of the compound of formula I as well as racemic and non-racemic mixtures 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).

  该发明涉及一种具有以下化学式的化合物，其中A在此处被定义，或者是药用活性盐、立体异构体形式，包括化合物I的各个对映异构体和对映体，以及它们的混合物。目前的化合物是治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑和注意力缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。
• (3 -METHYLPYRROLIDIN- 3 - YL) METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2590963A1

  公开（公告）日：2013-05-15
• (3-METHYLPYRROLIDIN-3-YL)METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2590963B1

  公开（公告）日：2014-12-03
• US8507535B2
  申请人：——

  公开号：US8507535B2

  公开（公告）日：2013-08-13