5-Picolinoylvaleriansaeure | 13672-87-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 5-Picolinoylvaleriansaeure
• 英文别名: 5--valeriansaeure；6-oxo-6-pyridin-2-yl-hexanoic acid；6-Oxo-6-(pyridin-2-yl)hexanoic acid；6-oxo-6-pyridin-2-ylhexanoic acid
• CAS: 13672-87-2
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: JIAMNOMFIODMBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• 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。
• 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).