2-(1,3-恶唑-2-基)-1H-苯并咪唑 | 23419-15-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2-(1,3-恶唑-2-基)-1H-苯并咪唑
• 英文名称: 2-(1H-benzo[d]imidazol-2-yl)oxazole
• 英文别名: 2-(1H-benzimidazol-2-yl)-1,3-oxazole
• CAS: 23419-15-0
• 化学式: C₁₀H₇N₃O
• 分子量: 185.185
• InChiKey: XTROYEIIBGPWRB-UHFFFAOYSA-N

物化性质

• 沸点：
  412.2±28.0 °C(Predicted)
• 密度：
  1.357±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  恶唑-2-甲醛 、 邻苯二胺 在 sodium disulfite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 2-(1,3-恶唑-2-基)-1H-苯并咪唑
  参考文献：
  名称：

  Structure–activity relationship study of selective benzimidazole-based inhibitors of Cryptosporidium parvum IMPDH

  摘要：

  Cryptosporidium parasites are important waterborne pathogens of both humans and animals. The Cryptosporidium parvum and Cryptosporidium hominis genomes indicate that the only route to guanine nucleotides is via inosine 5 '-monophosphate dehydrogenase (IMPDH). Thus the inhibition of the parasite IMPDH presents a potential strategy for treating Cryptosporidium infections. A selective benzimidazole-based inhibitor of C. parvum IMPDH (CpIMPDH) was previously identified in a high throughput screen. Here we report a structure-activity relationship study of benzimidazole-based compounds that resulted in potent and selective inhibitors of CpIMPDH. Several compounds display potent antiparasitic activity in vitro. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.029

文献信息

• Structure–activity relationship study of selective benzimidazole-based inhibitors of Cryptosporidium parvum IMPDH
  作者：Sivapriya Kirubakaran、Suresh Kumar Gorla、Lisa Sharling、Minjia Zhang、Xiaoping Liu、Soumya S. Ray、Iain S. MacPherson、Boris Striepen、Lizbeth Hedstrom、Gregory D. Cuny

  DOI：10.1016/j.bmcl.2012.01.029

  日期：2012.3

  Cryptosporidium parasites are important waterborne pathogens of both humans and animals. The Cryptosporidium parvum and Cryptosporidium hominis genomes indicate that the only route to guanine nucleotides is via inosine 5 '-monophosphate dehydrogenase (IMPDH). Thus the inhibition of the parasite IMPDH presents a potential strategy for treating Cryptosporidium infections. A selective benzimidazole-based inhibitor of C. parvum IMPDH (CpIMPDH) was previously identified in a high throughput screen. Here we report a structure-activity relationship study of benzimidazole-based compounds that resulted in potent and selective inhibitors of CpIMPDH. Several compounds display potent antiparasitic activity in vitro. (C) 2012 Elsevier Ltd. All rights reserved.