| 1304821-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• CAS: 1304821-33-7
• 化学式: C₁₆H₂₀N₄
• 分子量: 268.362
• InChiKey: WBDLUIKIHQQGIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.05
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (R)-N-(2-ethoxyethyl)-2,6-dimethyl-N-(oxiran-2-ylmethyl)benzenesulfonamide 、 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 N-(2-ethoxyethyl)-N-((2S)-2-hydroxy-3-(2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl)propyl)-2,6-dimethylbenzenesulfonamide
  参考文献：
  名称：

  Discovery of spirocyclic sulfonamides as potent Akt inhibitors with exquisite selectivity against PKA

  摘要：

  We describe the design and synthesis of novel bicyclic spiro sulfonamides as potent Akt inhibitors. Through structure-based rational design, we have successfully improved PKA selectivity of previously disclosed spirochromanes. Representative compounds showed favorable Akt potency while exhibiting up to 1000-fold selectivity against PKA. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.098
• 作为产物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Discovery of spirocyclic sulfonamides as potent Akt inhibitors with exquisite selectivity against PKA

  摘要：

  We describe the design and synthesis of novel bicyclic spiro sulfonamides as potent Akt inhibitors. Through structure-based rational design, we have successfully improved PKA selectivity of previously disclosed spirochromanes. Representative compounds showed favorable Akt potency while exhibiting up to 1000-fold selectivity against PKA. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.098