N-(1-benzylpiperidin-4-yl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | 689216-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-(1-benzylpiperidin-4-yl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
• 英文别名: N-(1-benzylpiperidin-4-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
• CAS: 689216-94-2
• 化学式: C₂₅H₃₀N₄O
• 分子量: 402.539
• InChiKey: VFNCEEJPGNSZGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(1-benzylpiperidin-4-yl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide 在 palladium 10% on activated carbon 、 水 、 氢气 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以95%的产率得到N-(1-methylpiperidin-4-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
  参考文献：
  名称：

  Discovery of novel α7 nicotinic receptor antagonists

  摘要：

  Two distinct families of small molecules were discovered as novel alpha 7 nicotinic acetylcholine receptor (nAChR) antagonists by pharmacophore-based virtual screening. These novel antagonists exhibited selectivity for the neuronal alpha 7 subtype over other nAChRs and good brain penetration. Neuroprotection was demonstrated by representative compounds 7i and 8 in a mouse seizure-like behavior model induced by the nerve agent diisopropylfluorophosphate (DFP). These novel nAChR antagonists have potential use as antidote for organophosphorus nerve agent intoxication. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.103

文献信息

• ORGANIC COMPOUNDS
  申请人：INTRA-CELLULAR THERAPIES, INC.

  公开号：US20180333403A1

  公开（公告）日：2018-11-22

  The disclosure relates to compounds and methods of treatment relating to nicotinic receptor antagonists. For example, the compounds and methods of treatment function block the activity of certain acetylcholine receptors and subtypes therein, and are useful treating diseases and conditions mediated by nicotinic receptor stimulation, e.g., diabetes mellitus, chronic kidney disease, acute kidney failure, and reduction of blood glucose levels.

  本公开涉及与尼古丁受体拮抗剂相关的化合物和治疗方法。例如，这些化合物和治疗方法可以阻断某些乙酰胆碱受体及其亚型的活性，并且可用于治疗由尼古丁受体刺激介导的疾病和病状，例如糖尿病、慢性肾病、急性肾衰竭和降低血糖水平。
• US9469625B2
  申请人：——

  公开号：US9469625B2

  公开（公告）日：2016-10-18
• US9708294B2
  申请人：——

  公开号：US9708294B2

  公开（公告）日：2017-07-18