2-(3-Benzoyl-phenyl)-propionic acid 2,3-bis-nitrooxy-propyl ester | 1068441-10-0

• 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: 2-(3-Benzoyl-phenyl)-propionic acid 2,3-bis-nitrooxy-propyl ester
• 英文别名: 2,3-dinitrooxypropyl 2-(3-benzoylphenyl)propanoate
• CAS: 1068441-10-0
• 化学式: C₁₉H₁₈N₂O₉
• 分子量: 418.36
• InChiKey: CTGRQQITDNERQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  154
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  allyl 2-(3-benzoylphenyl)propanoate 在 碘 、 silver nitrate 作用下， 以 乙腈 为溶剂， 生成 2-(3-Benzoyl-phenyl)-propionic acid 2,3-bis-nitrooxy-propyl ester
  参考文献：
  名称：

  New NSAIDs-NO hybrid molecules with antiproliferative properties on human prostatic cancer cell lines

  摘要：

  The design of profen hybrids containing a NO donor moiety connected to an aliphatic spacer led to compounds with a similar cyclooxygenase inhibition compared to their parent profen and with significant antiproliferative activities on PC3 cells. However, inhibition of COX-2 pathway alone did not seem sufficient to inhibit cancer cell proliferation, and NO-release in a time-dependent manner strongly contributes to this activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.018