1-(benzo[d]thiazol-2-yl)-N-(3-ethoxy-4-methoxybenzyl)piperidin-4-amine | 1198791-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1-(benzo[d]thiazol-2-yl)-N-(3-ethoxy-4-methoxybenzyl)piperidin-4-amine
• CAS: 1198791-94-4
• 化学式: C₂₂H₂₇N₃O₂S
• 分子量: 397.541
• InChiKey: QWHFGTNLXHLVIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  46.62
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  3-乙氧基-4-甲氧基苯甲醛 、 1-Benzothiazol-2-yl-piperidin-4-ylamine; compound with GENERIC INORGANIC NEUTRAL COMPONENT 在 sodium cyanoborohydride 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 1-(benzo[d]thiazol-2-yl)-N-(3-ethoxy-4-methoxybenzyl)piperidin-4-amine
  参考文献：
  名称：

  Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists

  摘要：

  SAR studies of a recently described SST5R selective benzoxazole piperidine lead series are described with particular focus on the substitution pattern on the benzyl and benzoxazole side-chains. Introduction of a second meta substituent at the benzyl unit significantly lowers residual hH1 activity and insertion of substituents onto the benzoxazole periphery entirely removes remaining h5-HT(2B) activity. Compounds with single digit nM activity, functional antagonism and favorable physicochemical properties endowed with a good pharmacokinetic pro. le in rats are described which should become valuable tools for exploring the pharmacological role of the SST5 receptor in vivo. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.024