| 1571190-69-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1571190-69-6
• 化学式: C₁₇H₃₂N₂O₃
• 分子量: 312.453
• InChiKey: RKLIXHIZCNNURP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.52
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  67.43
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 、 乙酸乙酯 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  3-Amino-N-adamantyl-3-methylbutanamide derivatives as 11β-hydroxysteroid dehydrogenase 1 inhibitor

  摘要：

  Many adamantane derivatives have been demonstrated to function as 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitors. 3-Amino-N-adamantyl-3-methylbutanamide derivatives were optimized by structure-based drug design. Compound 8j exhibited a good in vitro and ex vivo inhibitory activity against both human and mouse 11 beta-HSD1. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.017
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 双(2-氧代-3-恶唑烷基)次磷酰氯 、 三乙胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 36.0h， 生成
  参考文献：
  名称：

  3-Amino-N-adamantyl-3-methylbutanamide derivatives as 11β-hydroxysteroid dehydrogenase 1 inhibitor

  摘要：

  Many adamantane derivatives have been demonstrated to function as 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitors. 3-Amino-N-adamantyl-3-methylbutanamide derivatives were optimized by structure-based drug design. Compound 8j exhibited a good in vitro and ex vivo inhibitory activity against both human and mouse 11 beta-HSD1. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.017