2-amino-4-(3,4,5-trimethoxyphenyl)-5H-indeno[1,2-d]pyrimidin-5-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-amino-4-(3,4,5-trimethoxyphenyl)-5H-indeno[1,2-d]pyrimidin-5-one
• 英文别名: 2-Amino-4-(3,4,5-trimethoxyphenyl)indeno[1,2-d]pyrimidin-5-one；2-amino-4-(3,4,5-trimethoxyphenyl)indeno[1,2-d]pyrimidin-5-one
• 化学式: C₂₀H₁₇N₃O₄
• 分子量: 363.373
• InChiKey: ZHVCUOGNNHSWST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  96.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲醛 、 盐酸胍 、 1,3-茚满二酮 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 8.47h， 以80%的产率得到2-amino-4-(3,4,5-trimethoxyphenyl)-5H-indeno[1,2-d]pyrimidin-5-one
  参考文献：
  名称：

  Synthesis, anti-inflammatory, ulcerogenic and cyclooxygenase activities of indenopyrimidine derivatives

  摘要：

  Objective of the present work was to evaluate the anti-inflammatory, ulcerogenicity and cyclooxygenase activity of indenopyrimidine derivatives. Anti-inflammatory activity of the tested compounds is investigated by carrageenan-induced rat paw edema assay. Compounds A1, A6, A7 and A12 exhibit the comparable anti-inflammatory activity (79.33-81.33%) to the standard drug diclofenac sodium (85.33%), while A6, A7, A9, A12 and A14 show better ulcer index than the reference standard diclofenac sodium. To rationalize the anti-inflammatory activity, docking experiments are performed to study the ability of these compounds to bind into the active site of COX-2 enzyme. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.12.088

文献信息

• Synthesis, anti-inflammatory, ulcerogenic and cyclooxygenase activities of indenopyrimidine derivatives
  作者：Santosh S. Undare、Navanath J. Valekar、Ajinkya A. Patravale、Dattatraya K. Jamale、Sunil S. Vibhute、Laxman S. Walekar、Govind B. Kolekar、M.B. Deshmukh、Prashant V. Anbhule

  DOI：10.1016/j.bmcl.2015.12.088

  日期：2016.2

  Objective of the present work was to evaluate the anti-inflammatory, ulcerogenicity and cyclooxygenase activity of indenopyrimidine derivatives. Anti-inflammatory activity of the tested compounds is investigated by carrageenan-induced rat paw edema assay. Compounds A1, A6, A7 and A12 exhibit the comparable anti-inflammatory activity (79.33-81.33%) to the standard drug diclofenac sodium (85.33%), while A6, A7, A9, A12 and A14 show better ulcer index than the reference standard diclofenac sodium. To rationalize the anti-inflammatory activity, docking experiments are performed to study the ability of these compounds to bind into the active site of COX-2 enzyme. (C) 2015 Elsevier Ltd. All rights reserved.