[4-[(E)-3-(4-iodophenyl)prop-2-enoyl]phenoxy]methylboronic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: [4-[(E)-3-(4-iodophenyl)prop-2-enoyl]phenoxy]methylboronic acid
• 化学式: C₁₆H₁₄BIO₄
• 分子量: 408.0
• InChiKey: NJBTZNZDNUXQAQ-XCVCLJGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-碘苯甲醛 在 氢氧化钾 、 sodium hydroxide 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 [4-[(E)-3-(4-iodophenyl)prop-2-enoyl]phenoxy]methylboronic acid
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of Novel Boronic-Chalcone Derivatives as Antitumor Agents

  摘要：

  A series of boronic-chalcone derivatives were synthesized and tested for antitumor activity against human breast cancer cell lines. The results show the boronic-chalcones are more toxic to breast cancer cells compared to normal breast cells than other known chalcones.

  DOI：

  10.1021/jm030213+

文献信息

• Design, Synthesis, and Evaluation of Novel Boronic-Chalcone Derivatives as Antitumor Agents
  作者：Srinivas K. Kumar、Erin Hager、Catherine Pettit、Hallur Gurulingappa、Nancy E. Davidson、Saeed R. Khan

  DOI：10.1021/jm030213+

  日期：2003.7.1

  A series of boronic-chalcone derivatives were synthesized and tested for antitumor activity against human breast cancer cell lines. The results show the boronic-chalcones are more toxic to breast cancer cells compared to normal breast cells than other known chalcones.