6-((((1H-benzo[d]imidazol-2-yl)methyl)imino)methyl)-4-methoxy-5H-furo[3,2-g]chromen-5-one | 1160846-08-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-((((1H-benzo[d]imidazol-2-yl)methyl)imino)methyl)-4-methoxy-5H-furo[3,2-g]chromen-5-one
• CAS: 1160846-08-1
• 化学式: C₂₁H₁₅N₃O₄
• 分子量: 373.368
• InChiKey: IAGDXKXKAXZZQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  93.62
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  (1H-苯并咪唑-2-亚甲基)胺 、 6-formylvisnagin 在 三乙胺 作用下， 以 甲醇 为溶剂， 生成 6-((((1H-benzo[d]imidazol-2-yl)methyl)imino)methyl)-4-methoxy-5H-furo[3,2-g]chromen-5-one
  参考文献：
  名称：

  Synthesis of potent antitumor and antiviral benzofuran derivatives

  摘要：

  A new series of potent antitumor and antiviral benzofuran derivatives was synthesized by the reaction of the furochromone-6-carboxaldehydes 1 and 2 with different heterocyclic amines to yield the benzofuran-5-carbonyl derivatives 4-11. The synthesized compounds 1, 3-11 were tested against twelve different human cancer cell lines and all of the compounds were more potent than the comparative standards. The HIV inhibitory activity of the tested compounds 1, 3-11 showed that they have higher potency than Atevirdine. Moreover, compound 6 was significantly potent with wider therapeutic index. The HIV-1 RT inhibitory activity showed that compounds 10, 11, 3 and 4 were notably potent but with lower therapeutic index than Atevirdine. The HCV NS3-4A protease inhibitor activity of the tested compounds revealed that they have weaker potency and less therapeutic index than VX-950, although compounds 1, 4, 9 and 6, respectively exhibited significant activity. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.069