(2-(aminomethyl)-5-ethoxypiperidin-1-yl)(2-methyl-5-phenylthiazol-4-yl)methanone | 1396788-43-4

• 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: (2-(aminomethyl)-5-ethoxypiperidin-1-yl)(2-methyl-5-phenylthiazol-4-yl)methanone
• CAS: 1396788-43-4
• 化学式: C₁₉H₂₅N₃O₂S
• 分子量: 359.492
• InChiKey: GVUJFRHMPMHAAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.09
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  68.45
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (2-(aminomethyl)-5-ethoxypiperidin-1-yl)(2-methyl-5-phenylthiazol-4-yl)methanone 在 氨 、 三乙酰氧基硼氢化钠 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 生成
  参考文献：
  名称：

  Disubstituted piperidines as potent orexin (hypocretin) receptor antagonists

  摘要：

  A series of orexin receptor antagonists was synthesized based on a substituted piperidine scaffold. Through traditional medicinal chemistry structure-activity relationships (SAR), installation of various groups at the 3-6-positions of the piperidine led to modest enhancement in receptor selectivity. Compounds were profiled in vivo for plasma and brain levels in order to identify candidates suitable for efficacy in a model of drug addiction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.122
• 作为产物：
  描述：

  ethyl 5-ethoxy-1-(2-methyl-5-phenylthiazole-4-carbonyl)piperidine-2-carboxylate 在 锂硼氢 、 偶氮二甲酸二异丙酯 、 三苯基膦 、 肼 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (2-(aminomethyl)-5-ethoxypiperidin-1-yl)(2-methyl-5-phenylthiazol-4-yl)methanone
  参考文献：
  名称：

  Disubstituted piperidines as potent orexin (hypocretin) receptor antagonists

  摘要：

  A series of orexin receptor antagonists was synthesized based on a substituted piperidine scaffold. Through traditional medicinal chemistry structure-activity relationships (SAR), installation of various groups at the 3-6-positions of the piperidine led to modest enhancement in receptor selectivity. Compounds were profiled in vivo for plasma and brain levels in order to identify candidates suitable for efficacy in a model of drug addiction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.122