N-[(3-endo)-8-(3-((S)-2-methoxymethylpyrrolidin-1-yl)-2-hydroxypropyl)-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)-1H-indazole-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N-[(3-endo)-8-(3-((S)-2-methoxymethylpyrrolidin-1-yl)-2-hydroxypropyl)-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)-1H-indazole-3-carboxamide
• 化学式: C₂₇H₄₁N₅O₃
• 分子量: 483.654
• InChiKey: VLXHPHYAICJTQV-PCFDSBEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  35.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  82.86
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1,3-二溴-2-丙醇 、 (S)-(+)-2-(甲氧基甲基)吡唑烷 、 1-isopropyl-1H-indazole-3-carboxylic Acid {(1S,3R,5R)-8-aza-bicyclo[3.2.1]oct-3-yl}amide 在 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 生成 N-[(3-endo)-8-(3-((S)-2-methoxymethylpyrrolidin-1-yl)-2-hydroxypropyl)-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)-1H-indazole-3-carboxamide
  参考文献：
  名称：

  Discovery, oral pharmacokinetics and in vivo efficacy of a highly selective 5-HT4 receptor agonist: Clinical compound TD-2749

  摘要：

  Further application of our multivalent approach to drug discovery directed to 5-HT4 receptor agonists is described. Optimization of the linker and secondary binding amine in the indazole-tropane primary binding group series, for binding affinity and functional potency at the 5-HT4 receptor, selectivity over the 5-HT3 receptor, oral pharmacokinetics, and in vivo efficacy in models of GI motility, resulted in the identification of clinical compound TD-2749. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.034

文献信息

• Indazole-carboxamide compounds
  申请人：Fatheree Paul

  公开号：US20060135764A1

  公开（公告）日：2006-06-22

  The invention provides novel indazole-carboxamide 5-HT 4 receptor agonist compounds. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat diseases associated with 5-HT 4 receptor activity, and processes and intermediates useful for preparing such compounds.

  这项发明提供了新型的吲唑-羧酰胺5-HT4受体激动剂化合物。该发明还提供了包括这些化合物的药物组合物，使用这些化合物治疗与5-HT4受体活性相关疾病的方法，以及用于制备这些化合物的过程和中间体。
• INDAZOLE-CARBOXAMIDE COMPOUNDS
  申请人：FATHEREE Paul

  公开号：US20100292223A1

  公开（公告）日：2010-11-18

  The invention provides novel indazole-carboxamide 5-HT 4 receptor agonist compounds. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat diseases associated with 5-HT 4 receptor activity, and processes and intermediates useful for preparing such compounds.

  该发明提供了新型的吲唑-羧酰胺5-HT4受体激动剂化合物。该发明还提供了包含这种化合物的药物组合物，使用这种化合物治疗与5-HT4受体活性相关的疾病的方法，以及用于制备这种化合物的过程和中间体。
• US7419989B2
  申请人：——

  公开号：US7419989B2

  公开（公告）日：2008-09-02
• US7786136B2
  申请人：——

  公开号：US7786136B2

  公开（公告）日：2010-08-31
• US8003664B2
  申请人：——

  公开号：US8003664B2

  公开（公告）日：2011-08-23