5-((E)-3-(5-methyl-2-phenyl-1H-indol-3-yl)-1-p-tolylallylidene)pyrimidine-2,4,6(1H,3H,5H)trione | 1246385-58-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-((E)-3-(5-methyl-2-phenyl-1H-indol-3-yl)-1-p-tolylallylidene)pyrimidine-2,4,6(1H,3H,5H)trione
• 英文别名: 5-[(E)-1-(4-methylphenyl)-3-(5-methyl-2-phenyl-1H-indol-3-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
• CAS: 1246385-58-9
• 化学式: C₂₉H₂₃N₃O₃
• 分子量: 461.52
• InChiKey: OMJRLHHVZNFOQO-BUHFOSPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.28
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  91.06
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  巴比妥酸 、 1-(4-methylphenyl)-3-(5-methyl-2-phenyl-1H-indol-3-yl)prop-2-en-1-one 在 溶剂黄146 作用下， 以67%的产率得到5-((E)-3-(5-methyl-2-phenyl-1H-indol-3-yl)-1-p-tolylallylidene)pyrimidine-2,4,6(1H,3H,5H)trione
  参考文献：
  名称：

  Synthesis, antioxidant and DNA cleavage activities of novel indole derivatives

  摘要：

  A new series of novel indole derivatives containing barbitone moiety (5a-i) are synthesized by simple and efficient condensation of chalcones (3a-i) with barbituric acid (4). The synthesized compounds are screened for their antioxidant (free radical scavenging, total antioxidant capacity and ferric reducing antioxidant power) and DNA cleavage activities were evaluated. Among the synthesized compounds (5a), (5d) and (5g) exhibited excellent antioxidant activity and all the tested compounds in the series have exhibited promising DNA cleavage activities. The structures of the synthesized compounds are assigned on the basis of elemental analysis, IR, H-1 NMR, C-13 NMR and mass spectral data. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.05.067

文献信息

• Synthesis, antioxidant and DNA cleavage activities of novel indole derivatives
  作者：J.S. Biradar、B.S. Sasidhar、R. Parveen

  DOI：10.1016/j.ejmech.2010.05.067

  日期：2010.9

  A new series of novel indole derivatives containing barbitone moiety (5a-i) are synthesized by simple and efficient condensation of chalcones (3a-i) with barbituric acid (4). The synthesized compounds are screened for their antioxidant (free radical scavenging, total antioxidant capacity and ferric reducing antioxidant power) and DNA cleavage activities were evaluated. Among the synthesized compounds (5a), (5d) and (5g) exhibited excellent antioxidant activity and all the tested compounds in the series have exhibited promising DNA cleavage activities. The structures of the synthesized compounds are assigned on the basis of elemental analysis, IR, H-1 NMR, C-13 NMR and mass spectral data. (C) 2010 Elsevier Masson SAS. All rights reserved.