3-phenyl-N-(piperidin-4-yl)propanamide | 954575-19-0

• 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: 3-phenyl-N-(piperidin-4-yl)propanamide
• 英文别名: 3-phenyl-N-piperidin-4-ylpropanamide
• CAS: 954575-19-0
• 化学式: C₁₄H₂₀N₂O
• mdl: MFCD09742449
• 分子量: 232.326
• InChiKey: SMVAIZXVZZXCNA-UHFFFAOYSA-N

物化性质

• 沸点：
  445.5±44.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(3-bromopropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 、 3-phenyl-N-(piperidin-4-yl)propanamide 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-{1-[3-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propyl]-piperidin-4-yl}-3-phenyl-propionamide
  参考文献：
  名称：

  Discovery of N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): An Allosteric Muscarinic M₁ Receptor Agonist with Unprecedented Selectivity and Procognitive Potential

  摘要：

  The discovery and structure activity relationship (SAR) of a series of allosteric muscarinic M, receptor agonists are described. Compound 17 (Lu AE51090) was identified as a representative compound from the series, based on its high selectivity as an agonist at the muscarinic M-1 receptor across a panel of muscarinic receptor subtypes. Furthermore, 17 displayed a high degree of selectivity when tested in a broad panel of G-protein-coupled receptors, ion channels, transporters, and enzymes, and 17 showed an acceptable pharmacokinetic profile and sufficient brain exposure in rodents in order to characterize the compound in vivo. Hence, in a rodent model of learning and memory, 17 reversed delay-induced natural forgetting, suggesting a procognitive potential of 17.

  DOI：

  10.1021/jm100697g
• 作为产物：
  描述：

  tert-butyl 4-(3-phenylpropanamido)piperidine-1-carboxylate 在 三氟乙酸 作用下， 反应 2.0h， 生成 3-phenyl-N-(piperidin-4-yl)propanamide
  参考文献：
  名称：

  Discovery of N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): An Allosteric Muscarinic M₁ Receptor Agonist with Unprecedented Selectivity and Procognitive Potential

  摘要：

  The discovery and structure activity relationship (SAR) of a series of allosteric muscarinic M, receptor agonists are described. Compound 17 (Lu AE51090) was identified as a representative compound from the series, based on its high selectivity as an agonist at the muscarinic M-1 receptor across a panel of muscarinic receptor subtypes. Furthermore, 17 displayed a high degree of selectivity when tested in a broad panel of G-protein-coupled receptors, ion channels, transporters, and enzymes, and 17 showed an acceptable pharmacokinetic profile and sufficient brain exposure in rodents in order to characterize the compound in vivo. Hence, in a rodent model of learning and memory, 17 reversed delay-induced natural forgetting, suggesting a procognitive potential of 17.

  DOI：

  10.1021/jm100697g

文献信息

• RIFAMYCIN ANALOGS AND USES THEREOF
  申请人：Activbiotics, Inc.

  公开号：EP1663107A2

  公开（公告）日：2006-06-07
• [EN] RIFAMYCIN ANALOGS AND USES THEREOF<br/>[FR] ANALOGUES DE RIFAMYCINE ET UTILISATIONS DE CEUX-CI
  申请人：ACTIVBIOTICS INC

  公开号：WO2005020894A2

  公开（公告）日：2005-03-10

  The present invention features rifamycin analogs that can be used as therapeutics for treating or preventing a variety of microbial infections. In one form, the analogs are acetylated at the 25-position, as is rifamycin. In another form, the analogs are deacetylated at the 25-position. In yet other forms, benzoxazinorifamycin, benzthiazinorifamycin, and benzdiazinorifamycin analogs are derivated at various positions of the benzene ring, including 3’-hydroxy analogs, 4’-and/or 6’halo and/or alkoxy analogs, and various 5’ substituents that incorporate a cyclic amine moiety.