(2S)-2-[2-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethylamino]butan-1-ol | 1021896-17-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (2S)-2-[2-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethylamino]butan-1-ol
• CAS: 1021896-17-2
• 化学式: C₁₄H₂₄N₂O₂
• 分子量: 252.357
• InChiKey: YFLGCGIDFAYKKH-UONOGXRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  64.5
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 (2S)-2-[2-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethylamino]butan-1-ol
  参考文献：
  名称：

  Design, synthesis, and evaluation of novel ethambutol analogues

  摘要：

  Ethambutol is one of the front-line agents recommended by the World Health Organization for the treatment of tuberculosis. In an effort to develop more potent therapies to treat tuberculosis, novel unsymmetrical ethambutol analogues were successfully synthesized by a new route utilizing novel building blocks synthesized using Ellman's sulfinyl chemistry. The resulting analogues were tested for anti-tuberculosis activity yielding compounds with comparable anti-tuberculosis activity to ethambutol and increased lipophilicity that may instill better tissue penetration and serum half-life. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.065

文献信息

• Design, synthesis, and evaluation of novel ethambutol analogues
  作者：Raghunandan Yendapally、Richard E. Lee

  DOI：10.1016/j.bmcl.2008.01.065

  日期：2008.3

  Ethambutol is one of the front-line agents recommended by the World Health Organization for the treatment of tuberculosis. In an effort to develop more potent therapies to treat tuberculosis, novel unsymmetrical ethambutol analogues were successfully synthesized by a new route utilizing novel building blocks synthesized using Ellman's sulfinyl chemistry. The resulting analogues were tested for anti-tuberculosis activity yielding compounds with comparable anti-tuberculosis activity to ethambutol and increased lipophilicity that may instill better tissue penetration and serum half-life. (c) 2008 Elsevier Ltd. All rights reserved.