| 1198793-06-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶唑并吡啶类
• CAS: 1198793-06-4
• 化学式: C₁₄H₁₈N₄O₃
• 分子量: 290.322
• InChiKey: UCUYPZAYIGBCBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.49
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 氢溴酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成
  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
• 作为产物：
  描述：

  2-氯恶唑并[5,4-b]吡啶 、 4-氨基-1-哌啶甲酸乙酯 在 三乙胺 作用下， 反应 0.08h， 生成
  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