N-(2-adamantyl)-2-phenylpiperidine-1-carboxamide | 1219012-07-3

• 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: N-(2-adamantyl)-2-phenylpiperidine-1-carboxamide
• CAS: 1219012-07-3
• 化学式: C₂₂H₃₀N₂O
• 分子量: 338.493
• InChiKey: GIGLBOSGXWTEJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-苯基哌啶 、 2-adamantyl isocyanate 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2-adamantyl)-2-phenylpiperidine-1-carboxamide
  参考文献：
  名称：

  Spirocyclic ureas: Orally bioavailable 11β-HSD1 inhibitors identified by computer-aided drug design

  摘要：

  Structure-guided drug design led to the identification of a class of spirocyclic ureas which potently inhibit human 11 beta-HSD1 in vitro. Lead compound 10j was shown to be orally bioavailable in three species, distributed into adipose tissue in the mouse, and its (R) isomer 10j2 was efficacious in a primate pharmacodynamic model. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.082

文献信息

• Spirocyclic ureas: Orally bioavailable 11β-HSD1 inhibitors identified by computer-aided drug design
  作者：Colin M. Tice、Wei Zhao、Zhenrong Xu、Salvacion T. Cacatian、Robert D. Simpson、Yuan-Jie Ye、Suresh B. Singh、Brian M. McKeever、Peter Lindblom、Joan Guo、Paula M. Krosky、Barbara A. Kruk、Jennifer Berbaum、Richard K. Harrison、Judith J. Johnson、Yuri Bukhtiyarov、Reshma Panemangalore、Boyd B. Scott、Yi Zhao、Joseph G. Bruno、Linghang Zhuang、Gerard M. McGeehan、Wei He、David A. Claremon

  DOI：10.1016/j.bmcl.2009.12.082

  日期：2010.2

  Structure-guided drug design led to the identification of a class of spirocyclic ureas which potently inhibit human 11 beta-HSD1 in vitro. Lead compound 10j was shown to be orally bioavailable in three species, distributed into adipose tissue in the mouse, and its (R) isomer 10j2 was efficacious in a primate pharmacodynamic model. (C) 2009 Elsevier Ltd. All rights reserved.