(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenyl]propanamide;hydrochloride | 1204138-97-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenyl]propanamide;hydrochloride
• CAS: 1204138-97-5
• 化学式: C₂₂H₂₈N₂O₆*ClH
• 分子量: 452.935
• InChiKey: ZNSNBIWMUJKUAF-PWAMVKLHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  112
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenyl]propanamide 在 盐酸 作用下， 以91%的产率得到(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenyl]propanamide;hydrochloride
  参考文献：
  名称：

  Synthesis and antitumor-evaluation of cyclopropyl-containing combretastatin analogs

  摘要：

  Several derivatives of combretastatin have been prepared bearing a cyclopropyl unit instead of the natural occurring cis-double bond. Final products and synthetic intermediates were evaluated for their cytotoxic properties in two human cancer cell lines. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.064

文献信息

• Synthesis and antitumor-evaluation of cyclopropyl-containing combretastatin analogs
  作者：Rita Fürst、István Zupkó、Ágnes Berényi、Gerhard F. Ecker、Uwe Rinner

  DOI：10.1016/j.bmcl.2009.10.064

  日期：2009.12

  Several derivatives of combretastatin have been prepared bearing a cyclopropyl unit instead of the natural occurring cis-double bond. Final products and synthetic intermediates were evaluated for their cytotoxic properties in two human cancer cell lines. (C) 2009 Elsevier Ltd. All rights reserved.