3-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine | 805230-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
• CAS: 805230-11-9
• 化学式: C₂₂H₂₃FN₄O
• 分子量: 378.449
• InChiKey: KCUDSPYLRBCYHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  44.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯-3-甲胺基吡啶 在 iron(III) chloride 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙二醇二甲醚 、 乙醇 、 二氯甲烷 为溶剂， 反应 143.0h， 生成 3-[[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
  参考文献：
  名称：

  [EN] INDOLE DERIVATIVES WITH AN IMPROVED ANTIPSYCHOTIC ACTIVITY
  [FR] DERIVE D'INDOLE A ACTIVITE ANTIPSYCHOTIQUE AMELIOREE

  摘要：

  本发明涉及一种新颖的吲哚衍生物，其符合以下式（I）的药学上可接受的酸或碱盐，其立体化异构体形式，其N-氧化物形式或其季铵盐，其中变量R1、R2、R3、R4、R5、p、a1 = a2-a3 = a4、Z1-Z2、X和Y的定义如权利要求书中所述。所述衍生物具有与多巴胺受体的结合亲和力，特别是对多巴胺D2、D3和D4受体具有选择性的5-羟色胺再摄取抑制特性，并作为5-HT1A激动剂或部分激动剂。本发明还涉及包含根据本发明的化合物的药物组合物，其用于预防和/或治疗一系列精神疾病和神经系统疾病，特别是某些精神疾病，尤其是精神分裂症，以及其生产工艺。

  公开号：

  WO2004106298A1

文献信息

• Novel indole derivatives with an improved antipsychotic activity
  申请人：Bartolome-Nebreda Manuel Jose

  公开号：US20070066608A1

  公开（公告）日：2007-03-22

  The present invention relates to a novel indol derivative according to Formula (I), a pharmaceutically acceptable acid or base addition salt thereof, a stereochemically isomeric form thereof, an N-oxide form thereof or a quaternary ammonium salt thereof, wherein the variables R 1, R 2 , R 3 , R 4 , R 5 , p, a 1 ═a 2 a 3 ═a 4 , Z 1 —Z 2 , X and Y are defined as in claim 1 . Said derivative exhibit a binding affinity towards dopamine receptors, in particular towards dopamine D 2 , D 3 and D 4 receptors, with selective serotonin reuptake inhibition properties and acting as 5-HT 1A agonists or partial agonists. The invention also relates to pharmaceutical compositions comprising the compounds according to the invention, the use thereof for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic disorders, most in particular schizophrenia and processes for their production.
• [EN] INDOLE DERIVATIVES WITH AN IMPROVED ANTIPSYCHOTIC ACTIVITY<br/>[FR] DERIVE D'INDOLE A ACTIVITE ANTIPSYCHOTIQUE AMELIOREE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004106298A1

  公开（公告）日：2004-12-09

  The present invention relates to a novel indol derivative according to Formula (I) a pharmaceutically acceptable acid or base addition salt thereof, a stereochemically isomeric form thereof, an N-oxide form thereof or a quaternary ammonium salt thereof, wherein the variables R1, R2, R3, R4, R5, p, a1 = a2-a3 = a4, Z1-Z2, X and Y are defined as in claim 1. Said derivative exhibit a binding affinity towards dopamine receptors, in particular towards dopamine D2, D3 and D4 receptors, with selective serotonin reuptake inhibition properties and acting as 5-HT1A agonists or partial agonists. The invention also relates to pharmaceutical compositions comprising the compounds according to the invention, the use thereof for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic disorders, most in particular schizophrenia and processes for their production.

  本发明涉及一种新颖的吲哚衍生物，其符合以下式（I）的药学上可接受的酸或碱盐，其立体化异构体形式，其N-氧化物形式或其季铵盐，其中变量R1、R2、R3、R4、R5、p、a1 = a2-a3 = a4、Z1-Z2、X和Y的定义如权利要求书中所述。所述衍生物具有与多巴胺受体的结合亲和力，特别是对多巴胺D2、D3和D4受体具有选择性的5-羟色胺再摄取抑制特性，并作为5-HT1A激动剂或部分激动剂。本发明还涉及包含根据本发明的化合物的药物组合物，其用于预防和/或治疗一系列精神疾病和神经系统疾病，特别是某些精神疾病，尤其是精神分裂症，以及其生产工艺。