5-(4-fluorobenzoyl)amino-3-(1-methylpiperidin-4-yl)-1H-indazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4-fluorobenzoyl)amino-3-(1-methylpiperidin-4-yl)-1H-indazole
• 英文别名: 4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide；4-fluoro-N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzamide
• 化学式: C₂₀H₂₁FN₄O
• 分子量: 352.411
• InChiKey: IMRMDLZGICUAAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  61
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氟-N-(3-(1-甲基哌啶-4-基)-1H-吲哚-5-基)苯甲酰胺盐酸盐 在 盐酸 、 sodium periodate 、 二氧化硫 、 sodium nitrite 作用下， 以 甲醇 为溶剂， 生成 5-(4-fluorobenzoyl)amino-3-(1-methylpiperidin-4-yl)-1H-indazole
  参考文献：
  名称：

  Design, synthesis and evaluation of bicyclic benzamides as novel 5-HT1F receptor agonists

  摘要：

  Several fused bicyclic systems have been investigated to serve as the core structure of potent and selective 5-HT1F receptor agonists. Replacement of the indole nucleus in 2 with indazole and 'inverted' indazole provided more potent and selective 5-HT1F receptor ligands. Indoline and 1,2-benzisoxazole systems also provided potent 5-HT1F receptor agonists, and the 5-HT1A receptor selectivity of the indoline- and 1,2-benzisoxazole-based 5-HT1F receptor agonists could be improved with modification of the benzoyl moiety of the benzamides. Through these studies, we found that the inherent geometries of the templates, not the nature of hybridization of the linking atom, were important for the 5-HT1F receptor recognition. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.079

文献信息

• Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID
  申请人：Plachetka R. John

  公开号：US20060178349A1

  公开（公告）日：2006-08-10

  The present invention is directed to compositions containing a 5-HT 1F -specific agonist that acts by blocking protein extravasation together with an NSAID. These compositions may be used to treat migraine and headache pain. The invention also includes methods in which these drugs are separately administered to a patient.

  本发明涉及含有 5-HT 1F -特异性激动剂与一种非甾体抗炎药一起发挥作用。这些组合物可用于治疗偏头痛和头痛。本发明还包括对患者分别施用这些药物的方法。
• Indazole derivatives as 5-HT1F agonists
  申请人：ELI LILLY AND COMPANY

  公开号：EP0978514B1

  公开（公告）日：2004-12-15
• COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID
  申请人：Pozen, Inc.

  公开号：EP1841427A2

  公开（公告）日：2007-10-10
• US6133290A
  申请人：——

  公开号：US6133290A

  公开（公告）日：2000-10-17
• [EN] 5-HT1F AGONISTS<br/>[FR] AGONISTES DE 5-HT1F
  申请人：LILLY CO ELI

  公开号：WO2000006173A1

  公开（公告）日：2000-02-10

  The present invention relates to a compound of formula (I); or a pharmaceutical acid addition salt thereof; which are useful for activating 5-HT1F receptors and inhibiting neuronal protein extravasation in a mammal.