N-(2-ethoxyethyl)-N-((2S)-2-hydroxy-3-(2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl)propyl)-2,6-dimethylbenzenesulfonamide | 1304723-85-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(2-ethoxyethyl)-N-((2S)-2-hydroxy-3-(2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl)propyl)-2,6-dimethylbenzenesulfonamide
• 英文别名: N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-(2-quinazolin-4-yl-2,9-diazaspiro[4.5]decan-9-yl)propyl]-2,6-dimethylbenzenesulfonamide
• CAS: 1304723-85-0
• 化学式: C₃₁H₄₃N₅O₄S
• 分子量: 581.78
• InChiKey: ABPGHPHYGKUEIO-PAMMARIWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  41
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-氯喹唑啉 在 盐酸 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 N-甲基吡咯烷酮 、 乙醇 为溶剂， 反应 32.0h， 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

文献信息

• Discovery of spirocyclic sulfonamides as potent Akt inhibitors with exquisite selectivity against PKA
  作者：Rui Xu、Anna Banka、James F. Blake、Ian S. Mitchell、Eli M. Wallace、Josef R. Bencsik、Nicholas C. Kallan、Keith L. Spencer、Susan L. Gloor、Matthew Martinson、Tyler Risom、Stefan D. Gross、Tony H. Morales、Wen-I Wu、Guy P.A. Vigers、Barbara J. Brandhuber、Nicholas J. Skelton

  DOI：10.1016/j.bmcl.2011.02.098

  日期：2011.4

  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.