3-{1-[3-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)propyl]-1H-indol-3-ylmethylene}-1,3-dihydro-indol-2-one | 1529772-91-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3-{1-[3-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)propyl]-1H-indol-3-ylmethylene}-1,3-dihydro-indol-2-one
• CAS: 1529772-91-5
• 化学式: C₃₅H₂₆N₂O₅
• 分子量: 554.602
• InChiKey: KUHYCYZPVRQIEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.08
• 重原子数：
  42.0
• 可旋转键数：
  7.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  93.7
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1-(3-bromopropyl)-1H-indole-3-carbaldehyde 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 3-{1-[3-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)propyl]-1H-indol-3-ylmethylene}-1,3-dihydro-indol-2-one
  参考文献：
  名称：

  Rationally designed hybrid molecules with appreciable COX-2 inhibitory and anti-nociceptive activities

  摘要：

  Six molecules were obtained by the combination of three biologically and medicinally significant moieties- indole, chrysin and pyrazole. Bio-evaluation of these hybrid molecules showed significant inhibition of COX-2 enzymatic activity over that of COX-1 and appreciable anti-nociceptive activity, checked at swiss albino mice. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.11.080

文献信息

• Rationally designed hybrid molecules with appreciable COX-2 inhibitory and anti-nociceptive activities
  作者：Palwinder Singh、Shaveta、Surbhi Sharma、Rajbir Bhatti

  DOI：10.1016/j.bmcl.2013.11.080

  日期：2014.1

  Six molecules were obtained by the combination of three biologically and medicinally significant moieties- indole, chrysin and pyrazole. Bio-evaluation of these hybrid molecules showed significant inhibition of COX-2 enzymatic activity over that of COX-1 and appreciable anti-nociceptive activity, checked at swiss albino mice. (C) 2013 Elsevier Ltd. All rights reserved.