[(3R,4S)-4-(4-chloro-phenyl)-pyrrolidin-3-ylmethyl]-methyl-(5-trifluoromethyl-pyrimidin-2-yl)-amine | 1239372-08-7

• 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: [(3R,4S)-4-(4-chloro-phenyl)-pyrrolidin-3-ylmethyl]-methyl-(5-trifluoromethyl-pyrimidin-2-yl)-amine
• 英文别名: N-[[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-N-methyl-5-(trifluoromethyl)pyrimidin-2-amine
• CAS: 1239372-08-7
• 化学式: C₁₇H₁₈ClF₃N₄
• 分子量: 370.805
• InChiKey: PEJKXRWDBKEJLD-IUODEOHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  41
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS
  申请人：Knust Henner

  公开号：US20100210659A1

  公开（公告）日：2010-08-19

  The present invention relates to a compounds of formula I wherein A, Ar, R, R2, R3, R4, p, and o are as defined in the specification and claims or to a pharmaceutically active salt thereof. The present compounds are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, bipolar disorders, anxiety and attention deficit hyperactivity disorder (ADHD).

  本发明涉及公式I的化合物，其中A、Ar、R、R2、R3、R4、p和o如规范和声明中定义的那样，或其药用活性盐。该化合物是高潜力的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、躁郁症、焦虑症和注意力缺陷多动障碍（ADHD）。
• US8318759B2
  申请人：——

  公开号：US8318759B2

  公开（公告）日：2012-11-27
• [EN] PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRROLIDINE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR NK3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010094667A1

  公开（公告）日：2010-08-26

  The present invention relates to a compounds of formula I wherein A is -NR'-, -S-, -S(O)- or -S(O)2-; R' is hydrogen or lower alkyl; Ar is aryl or is a five or six membered heteroaryl group, containing one or two N-atoms; R is a five or six membered heterocyclic group X1 is N or CH; and X2 is -N(R1)-, -CH2-, -O-, -S-, -S(O)-, or -S(O)2-, R1 is hydrogen, lower alkyl, S(O)2-lower alkyl, C(O)-lower alkyl, C(O)-cycloalkyl optionally substituted by lower alkyl; with the proviso that at least one of X1 or X2 contains a heteroatom, or is a five or six membered heteroaryl group, containing one or two N-atoms, which groups are unsubstituted or may be substituted by one or two R1; wherein R1 is lower alkyl or cyano; R2 is lower alkyl substituted by halogen, halogen, cyano or nitro; R3 is halogen; R4 is hydrogen or lower alkyl; o is 1 or 2; in case o is 2, R2 may be the same or different; p is 1 or 2; in case p is 2, R3 may be the same or different; or to a pharmaceutically active salt 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, bipolar disorders, anxiety and attention deficit hyperactivity disorder (ADHD).