2-(3-Benzoyl-phenyl)-propionic acid 2-nitrooxy-propyl ester | 1068441-03-1

• 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-nitrooxy-propyl ester
• 英文别名: 2-nitrooxypropyl 2-(3-benzoylphenyl)propanoate
• CAS: 1068441-03-1
• 化学式: C₁₉H₁₉NO₆
• 分子量: 357.363
• InChiKey: WGTJLXQITFRCTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-bromo-2-nitrooxypropane 、 酮基布洛芬 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 2-(3-Benzoyl-phenyl)-propionic acid 2-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

文献信息

• New NSAIDs-NO hybrid molecules with antiproliferative properties on human prostatic cancer cell lines
  作者：Nicolas Bézière、Laurence Goossens、Jean Pommery、Hervé Vezin、Nadia Touati、Jean-Pierre Hénichart、Nicole Pommery

  DOI：10.1016/j.bmcl.2008.07.018

  日期：2008.8

  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.