5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]imidazole-4,6-dione | 1146213-62-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]imidazole-4,6-dione
• CAS: 1146213-62-8
• 化学式: C₁₁H₈N₄O₂
• 分子量: 228.21
• InChiKey: MGVDJMGYBUICPX-UHFFFAOYSA-N

物化性质

• 熔点：
  195 °C
• 沸点：
  524.7±35.0 °C(predicted)
• 密度：
  1.566±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  79
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨甲基吡啶 、 咪唑-4,5-二羧酸 反应 0.08h， 以96%的产率得到5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]imidazole-4,6-dione
  参考文献：
  名称：

  Microwave-assisted synthesis of N-substituted cyclic imides and their evaluation for anticancer and anti-inflammatory activities

  摘要：

  A number of N-substituted cyclic imides 3a-e, 5a-e, 7a-d, and 9a-e have been synthesized in very high yields, by condensation of various diacids 2, 4, 6, and 8 with different amines under microwave irradiation. These compounds were screened for anticancer and anti-inflammatory activities, and compounds 3c, 3e, 5c, 9c, and 9d exhibited anticancer activity against colon (COLO 205) cancer better than 5-fluorouracil and mitomycin-C, and compound 9b exhibited anti-inflammatory activity better than standard drug phenyl butazone. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.07.048

文献信息

• Microwave-assisted synthesis of N-substituted cyclic imides and their evaluation for anticancer and anti-inflammatory activities
  作者：Sham M. Sondhi、Reshma Rani、Partha Roy、S.K. Agrawal、A.K. Saxena

  DOI：10.1016/j.bmcl.2008.07.048

  日期：2009.3

  A number of N-substituted cyclic imides 3a-e, 5a-e, 7a-d, and 9a-e have been synthesized in very high yields, by condensation of various diacids 2, 4, 6, and 8 with different amines under microwave irradiation. These compounds were screened for anticancer and anti-inflammatory activities, and compounds 3c, 3e, 5c, 9c, and 9d exhibited anticancer activity against colon (COLO 205) cancer better than 5-fluorouracil and mitomycin-C, and compound 9b exhibited anti-inflammatory activity better than standard drug phenyl butazone. (C) 2009 Published by Elsevier Ltd.