2-{(S)-1-[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy}-5-trifluoromethylpyridine | 1115962-49-6

• 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-{(S)-1-[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy}-5-trifluoromethylpyridine
• 英文别名: 2-[(1S)-1-[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
• CAS: 1115962-49-6
• 化学式: C₁₈H₁₈ClF₃N₂O
• 分子量: 370.802
• InChiKey: DYGYWEIOHLCNCU-IUIKQTSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-{(S)-1-[(3R,4S)-1-Benzyl-4-(4-chloro-phenyl)-pyrrolidin-3-yl]-ethoxy}-5-trifluoromethyl-pyridine 在 1-氯乙基氯甲酸酯 、 N,N-二异丙基乙胺 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以55%的产率得到2-{(S)-1-[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy}-5-trifluoromethylpyridine
  参考文献：
  名称：

  PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS

  摘要：

  该发明涉及一种化合物，其化学式为I，其中Ar1、Ar2、R1、R2、R3、R4、n、o、p和q如本文所定义，并且涉及其药用活性盐，包括化合物(I)的所有立体异构形式、单个对映体异构体和对映体，以及其外消旋和非外消旋混合物。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、焦虑和注意力缺陷多动障碍（ADHD）。

  公开号：

  US20090042896A1

文献信息

• US8012998B2
  申请人：——

  公开号：US8012998B2

  公开（公告）日：2011-09-06
• [EN] PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS DE PYRROLIDINE ARYLE-ÉTHER UTILISÉS COMME ANTAGONISTES DES RÉCEPTEURS NK3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009019163A1

  公开（公告）日：2009-02-12

  The invention relates to a compound of general formula (I) wherein Ar1 is aryl or a five or six membered heteroaryl; Ar2 is aryl or a five or six membered heteroaryl; R1 is hydrogen, halogen, lower alkyl, lower alkoxy, lower alkyl substituted by halogen, lower alkoxy substituted by halogen, S-lower alkyl, -S(O)2-lower alkyl, -S(O)2-di-lower alkyl amino, -(CH2)qR, cyano, amino, mono or di-lower alkyl amino, NHC(O)-lower alkyl, cycloalkyl or is or a five membered heteroaryl, optionally substituted by lower alkyl; wherein R is cyano, di-lower alkyl amino or pyrrolidin-1-yl; R2 is hydrogen, halogen, lower alkyl, lower alkyl substituted by halogen or cyano; R3 is hydrogen or lower alkyl or CH2OH; R4 is hydrogen, halogen, lower alkyl, lower alkyl substituted by halogen or cyano; n is 1, 2 or 3; in case n is 2 or 3, R1 may be the same or different; o is 1, 2 or 3; in case o is 2 or 3, R2 may be the same or different; p is 1, 2 or 3; in case p is 2 or 3, R4 may be the same or different; q is 1 or 2; or to a pharmaceutically active salt thereof, including all stereoisomeric forms, 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, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).
• PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS
  申请人：Jablonski Philippe

  公开号：US20090042896A1

  公开（公告）日：2009-02-12

  The invention relates to a compound of formula I wherein Ar 1 , Ar 2 , R 1 , R 2 , R 3 , R 4 , n, o, p, and q are as defined herein and to a pharmaceutically active salt thereof, including all stereoisomeric forms, individual diastereoisomers and enantiomers of the compound of formula (I) as well as racemic and non-racemic mixtures thereof. The 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).

  该发明涉及一种化合物，其化学式为I，其中Ar1、Ar2、R1、R2、R3、R4、n、o、p和q如本文所定义，并且涉及其药用活性盐，包括化合物(I)的所有立体异构形式、单个对映体异构体和对映体，以及其外消旋和非外消旋混合物。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、焦虑和注意力缺陷多动障碍（ADHD）。