2-(1-Adamantyl)-5-methyl-1,3,4-oxadiazole | 866461-48-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1-Adamantyl)-5-methyl-1,3,4-oxadiazole
• 英文别名: 2-(1-adamantyl)-5-methyl-1,3,4-oxadiazole
• CAS: 866461-48-5
• 化学式: C₁₃H₁₈N₂O
• 分子量: 218.299
• InChiKey: LIOFQTDCBITIEB-UHFFFAOYSA-N

物化性质

• 沸点：
  338.9±25.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-Adamantyl)-5-methyl-1,3,4-oxadiazole 、 n-Butylamin-Trifluoressigsaeure 生成 3-(1-Adamantyl)-4-butyl-5-methyl-1,2,4-triazole
  参考文献：
  名称：

  Adamantyl triazoles as selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1

  摘要：

  Adamantyl triazoles were identified as selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1). They are active both in in vitro and in in vivo pharmacodynamic models. The synthesis and structure-activity relationships of these inhibitors are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.040
• 作为产物：
  描述：

  金刚烷-1-甲酰肼 在 吡啶 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-(1-Adamantyl)-5-methyl-1,3,4-oxadiazole
  参考文献：
  名称：

  Adamantyl triazoles as selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1

  摘要：

  Adamantyl triazoles were identified as selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1). They are active both in in vitro and in in vivo pharmacodynamic models. The synthesis and structure-activity relationships of these inhibitors are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.040

文献信息

• US8183276B2
  申请人：——

  公开号：US8183276B2

  公开（公告）日：2012-05-22
• Adamantyl triazoles as selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1
  作者：Steven Olson、Susan D. Aster、Kai Brown、Linda Carbin、Donald W. Graham、Anne Hermanowski-Vosatka、Cheryl B. LeGrand、Steven S. Mundt、Michael A. Robbins、James M. Schaeffer、Llnon H. Slossberg、Michael J. Szymonifka、Rolf Thieringer、Samuel D. Wright、James M. Balkovec

  DOI：10.1016/j.bmcl.2005.06.040

  日期：2005.10

  Adamantyl triazoles were identified as selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1). They are active both in in vitro and in in vivo pharmacodynamic models. The synthesis and structure-activity relationships of these inhibitors are presented. (c) 2005 Elsevier Ltd. All rights reserved.