4-{(3S,4S)-3-(4-chlorophenyl)-4-[(S)-1-(3,4-dichlorophenoxy)ethyl]piperidine-1-carbonyl}-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile | 1238890-29-3

• 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: 4-{(3S,4S)-3-(4-chlorophenyl)-4-[(S)-1-(3,4-dichlorophenoxy)ethyl]piperidine-1-carbonyl}-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile
• 英文别名: 4-{(3S,4S)-3-(4-Chloro-phenyl)-4-[(S)-1-(3,4-dichloro-phenoxy)-ethyl]-piperidine-1-carbonyl}-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile；6-[4-[(3S,4S)-3-(4-chlorophenyl)-4-[(1S)-1-(3,4-dichlorophenoxy)ethyl]piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
• CAS: 1238890-29-3
• 化学式: C₃₁H₃₁Cl₃N₄O₂
• 分子量: 597.972
• InChiKey: KBNBBRRQWACJBI-MHBGZZOHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  69.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-{(3S,4S)-3-(4-chlorophenyl)-4-[(S)-1-(3,4-dichlorophenoxy)ethyl]piperidine-1-carbonyl}-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile 、 哌啶 、 (R)-1-[(3S,4S)-1-benzyl-3-(3,4-difluorophenyl)piperidin-4-yl]ethanol 、 5-氯-2-羟基吡啶 、 1-氯乙基氯甲酸酯 、 N,N-二异丙基乙胺 以 甲醇 为溶剂， 以to yield 5-Chloro-2-{(S)-1-[(3S,4S)-3-(3,4-difluoro-phenyl)-piperidin-4-yl]-ethoxy}-pyridine的产率得到5-Chloro-2-{(S)-1-[(3S,4S)-3-(3,4-difluoro-phenyl)-piperidin-4-yl]-ethoxy}-pyridine
  参考文献：
  名称：

  Piperidine derivatives as NK3 receptor antagonists

  摘要：

  本发明涉及一种公式I的化合物，其中A、Ar1、Ar2、R1、R2、R3、R4、R5、R6、m、n、o、p、s、t和u的定义如本文所述，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。本发明化合物是高潜力的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）。

  公开号：

  US08324248B2

文献信息

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

  公开号：US20100197697A1

  公开（公告）日：2010-08-05

  The present invention relates to a compounds of formula I wherein A, Ar 1 , Ar 2 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , m, n, o, p, s, t, and u 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结构的化合物I，其中A、Ar1、Ar2、R1、R2、R3、R4、R5、R6、m、n、o、p、s、t和u如本文所定义，或者与其药效活性盐、外消旋体混合物、对映体、光学异构体或其互变异构体有关。本化合物是治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑和注意缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。
• Piperidine derivatives as nk3 receptor antagonists
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2391615A1

  公开（公告）日：2011-12-07
• US8324248B2
  申请人：——

  公开号：US8324248B2

  公开（公告）日：2012-12-04
• [EN] PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE PIPÉRIDINE EN TANT QU'ANTAGONISTES DES RÉCEPTEURS NK3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010086259A1

  公开（公告）日：2010-08-05

  The present invention relates to a compounds of formula (I) wherein Ar1 is aryl or a six membered heteroaryl; Ar2 is aryl or a six membered heteroaryl; R1 is hydrogen, halogen, lower alkyl, lower alkoxy or lower alkyl substituted by halogen; R2 is hydrogen, halogen, lower alkyl, lower alkyl substituted by halogen or cyano; R3 is hydrogen or lower alkyl; R4 is hydrogen, lower alkyl, phenyl, optionally substituted by halogen, or is a five membered heteroaryl, optionally substituted by lower alkyl, or is aryl optionally substituted by halogen; is a six membered heterocyclic group, wherein X is -N(SO2CH3); R6 is hydrogen; Y is -N(R7' )- R7' is a 6-membered heteroaryl group, optionally substituted by cyano or C(O)-cycloalkyl, wherein the cycloalkyl group is optionally substituted by lower alkyl, n is 1; m is 1; o is1; p is 1; s is 0; t is 1; u is 1; 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 antagonist for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia anxiety and attention deficit hyperactivity disorder (ADHD).