2-bromo-1-{(3SR,4RS)-3-(3,4-dichloro-phenyl)-4-[(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amino]-pyrrolidin-1-yl}-ethanone

• 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: 2-bromo-1-{(3SR,4RS)-3-(3,4-dichloro-phenyl)-4-[(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amino]-pyrrolidin-1-yl}-ethanone
• 英文别名: 2-Bromo-1-{(3SR,4RS)-3-(3,4-dichloro-phenyl)-4-[(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amino]-pyrrolidin-1-yl}-ethanone；2-bromo-1-[3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]ethanone
• 化学式: C₂₁H₁₉BrCl₂F₄N₂O
• 分子量: 542.198
• InChiKey: GPFXESRMWSWHBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  吗啉 、 2-bromo-1-{(3SR,4RS)-3-(3,4-dichloro-phenyl)-4-[(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amino]-pyrrolidin-1-yl}-ethanone 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 1-{(3SR,4RS)-3-(3,4-dichloro-phenyl)-4-[(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amino]-pyrrolidin-1-yl}-2-morpholin-4-yl-ethanone
  参考文献：
  名称：

  N-BENZYL PYRROLIDINE DERIVATIVES

  摘要：

  本发明涉及一种具有以下式I的化合物，其中Ar、R1、R2、R3、n和o如本文所定义，或者涉及其药用活性盐、消旋混合物、对映体、光学异构体或其互变异构体。本化合物是治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑症和注意缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。

  公开号：

  US20100113424A1
• 作为产物：
  描述：

  溴乙酰氯 、 [(3RS,4SR)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amine 在 三乙胺 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 以70%的产率得到2-bromo-1-{(3SR,4RS)-3-(3,4-dichloro-phenyl)-4-[(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amino]-pyrrolidin-1-yl}-ethanone
  参考文献：
  名称：

  N-BENZYL PYRROLIDINE DERIVATIVES

  摘要：

  本发明涉及一种具有以下式I的化合物，其中Ar、R1、R2、R3、n和o如本文所定义，或者涉及其药用活性盐、消旋混合物、对映体、光学异构体或其互变异构体。本化合物是治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑症和注意缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。

  公开号：

  US20100113424A1

文献信息

• N-benzyl pyrrolidine derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US08022099B2

  公开（公告）日：2011-09-20

  The present invention relates to a compound of formula I wherein Ar, R1, R2, R3, n, and o are as defined herein or to a pharmaceutically active salt, a racemic mixture, an enantiomer, an optical isomer or a 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).

  本发明涉及一种式子为I的化合物，其中Ar，R1，R2，R3，n和o如此定义，或其药物活性盐，外消旋体混合物，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）。
• 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2364295B1

  公开（公告）日：2013-02-27
• US8022099B2
  申请人：——

  公开号：US8022099B2

  公开（公告）日：2011-09-20
• [EN] 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE 3-(BENZYLAMINO)PYRROLIDINE ET LEUR UTILISATION COMME ANTAGONISTES DU RÉCEPTEUR NK-3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010060703A1

  公开（公告）日：2010-06-03

  The present invention relates to a compounds of formula I wherein Ar is aryl; R1 is hydrogen, halogen, lower alkyl, lower alkoxy, lower alkyl substituted by halogen, lower alkoxy substituted by halogen, cyano, amino, mono or di-lower alkyl amino, C(O)-lower alkyl, or is aryl or heteroaryl; R2 is hydrogen or halogen; R3 is -(CH2)p-heterocyclyl, optionally substituted by one or two substituents R4; or is lower alkyl, lower alkoxy, -(CH2)p-O-lo wer alkyl, -(CH2)P-CN, -O-(CH2)p-CN, -(CH2)p-heteroaryl, -(CH2)p-C(O)-heteroaryl, -O-(CH2)p-heterocyclyl, -(CH2)p-aryl, optionally substituted by lower alkoxy or halogen, -(CH2)p-O-aryl, optionally substituted by lower alkyl, -(CH2)p-NR'-heterocyclyl, optionally substituted by lower alkyl, -CH2)p-NR'R", -CH2)p-NR'-CH2)p'-NR'R", -CH2)p-NR'-CH2)p'-CN, -CH2)p-C(O)-NR'R" or is -O-(CH2)p-NR'R"; R4 is hydroxy, lower alkyl, -(CH2)P-OH, -(CH2)P-NR'R", -NR'-C(O)-lower alkyl, -(CH2)p-CN, -S(O)2-lower alkyl, -NR'-S(O)2-lower alkyl, -S(O)2-NR'R", -C(O)-lower alkyl, -C(O)-lower cycloalkyl, wherein the cycloalkyl may be substituted by lower alkyl, or is -C(O)-NR'R", heterocyclyl, optionally substituted by =0, or is heteroaryl, optionally substituted by alkoxy or cyano, or is aryl optionally substituted by alkoxy, cyano or is 2-oxa-5-aza-bicyclo[2.2.1]hept-5-yl; R' and R' ' are independently from each other hydrogen, lower alkyl or -(CH2)P-OH; n is 1 or 2; in case n is 1 or 2, R1 may be the same or different; o is 1 or 2; in case o is 1 or 2, R2 may be the same or different; p,p' are the same or different and are O, 1, 2 3 or 4; or to a pharmaceutically active salt, a racemic mixture, an enantiomer, an optical isomer or a tautomeric form 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).
• N-BENZYL PYRROLIDINE DERIVATIVES
  申请人：Bissantz Caterina

  公开号：US20100113424A1

  公开（公告）日：2010-05-06

  The present invention relates to a compound of formula I wherein Ar, R 1 , R 2 , R 3 , n, and o are as defined herein or to a pharmaceutically active salt, a racemic mixture, an enantiomer, an optical isomer or a 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Ar、R1、R2、R3、n和o如本文所定义，或者涉及其药用活性盐、消旋混合物、对映体、光学异构体或其互变异构体。本化合物是治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑症和注意缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。