4-chloro-N-(2-ethoxyethyl)benzenesulfonamide | 321726-27-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-chloro-N-(2-ethoxyethyl)benzenesulfonamide
• CAS: 321726-27-6
• 化学式: C₁₀H₁₄ClNO₃S
• 分子量: 263.745
• InChiKey: WAVJSXVVYNVQQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-N-(2-ethoxyethyl)benzenesulfonamide 在 sodium hydride 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-chloro-N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propyl]benzenesulfonamide
  参考文献：
  名称：

  Discovery and SAR of spirochromane Akt inhibitors

  摘要：

  A novel series of spirochromane pan-Akt inhibitors is reported. SAR optimization furnished compounds with improved enzyme potencies and excellent selectivity over the related AGC kinase PKA. Attempted replacement of the phenol hinge binder provided compounds with excellent Akt enzyme and cell activities but greatly diminished selectivity over PKA. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.073
• 作为产物：
  描述：

  2-乙氧基乙胺 、 4-氯苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-chloro-N-(2-ethoxyethyl)benzenesulfonamide
  参考文献：
  名称：

  Discovery and SAR of spirochromane Akt inhibitors

  摘要：

  A novel series of spirochromane pan-Akt inhibitors is reported. SAR optimization furnished compounds with improved enzyme potencies and excellent selectivity over the related AGC kinase PKA. Attempted replacement of the phenol hinge binder provided compounds with excellent Akt enzyme and cell activities but greatly diminished selectivity over PKA. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.073

文献信息

• Discovery and SAR of spirochromane Akt inhibitors
  作者：Nicholas C. Kallan、Keith L. Spencer、James F. Blake、Rui Xu、Justin Heizer、Josef R. Bencsik、Ian S. Mitchell、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.2011.02.073

  日期：2011.4

  A novel series of spirochromane pan-Akt inhibitors is reported. SAR optimization furnished compounds with improved enzyme potencies and excellent selectivity over the related AGC kinase PKA. Attempted replacement of the phenol hinge binder provided compounds with excellent Akt enzyme and cell activities but greatly diminished selectivity over PKA. (C) 2011 Elsevier Ltd. All rights reserved.