1-(2-picolyl)-3-(2-picolyl)benzimidazole iodide | 1339898-70-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-(2-picolyl)-3-(2-picolyl)benzimidazole iodide
• 英文别名: 1-picolyl-3-picolylbenzimidazole iodide
• CAS: 1339898-70-2
• 化学式: C₁₉H₁₇N₄*I
• 分子量: 428.275
• InChiKey: HWMWCAAZQFJBJJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.18
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  34.59
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-氯甲基吡啶盐酸盐 、 1-(吡啶-2-基甲基)苯并咪唑 在 碳酸氢钠 、 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 48.0h， 以81%的产率得到1-(2-picolyl)-3-(2-picolyl)benzimidazole iodide
  参考文献：
  名称：

  Synthesis and interaction studies of benzimidazole derivative with human serum albumin

  摘要：

  A benzimidazole derivative, 1-(2-picolyl)-3-(2-picolyl) benzimidazole iodide (PPB), was synthesized. Fourier transform infrared spectroscopy (FT-IR), UV-visible, three-dimensional (3D) fluorescence, synchronous fluorescence (SF) and fluorescence spectroscopic methods were used to determine the PPB binding mode and the effects of PPB on protein stability and secondary structure. Fluorescence results revealed the presence of static type of quenching mechanism in the binding of PPB to human serum albumin (HSA). The binding constants between PPB and HSA were obtained according to Scatchard equation. The number of binding sites, the binding constants and the thermodynamic parameters were measured. The results showed a spontaneous binding of PPB to HSA through hydrogen bonds and van der Waals forces. In addition, the distance between PPB and the Trp 214 was estimated via employing the Forster's non-radiative energy transfer theory, and was found to be 3.49 nm, which indicated that PPB can bind to HSA with high probability. Site marker competitive experiments indicated that the binding of PPB to HSA primarily took place in subdomain IIA. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.07.052

文献信息

• Environmental Friendly Azide-Alkyne Cycloaddition Reaction of Azides, Alkynes, and Organic Halides or Epoxides in Water: Efficient "Click" Synthesis of 1,2,3-Triazole Derivatives by Cu Catalyst
  作者：Jianming Liu、Muwen Liu、Yuanyuan Yue、Meihuan Yao、Kelei Zhuo

  DOI：10.1002/cjoc.201280012

  日期：2012.3

  An efficient click synthesis of 1,2,3‐triazole derivatives from benzyl halides or alkyl halides, epoxides, terminal alkynes, and sodium azides in the presence of copper salts and relative benzimidazole salts have been developed. This procedure eliminates the need to handle potentially organic azides, which are generated in situ. A broad spectrum of substrates can participate in the process effectively

  在铜盐和相对的苯并咪唑盐的存在下，已经开发了由苄基卤或烷基卤，环氧化物，末端炔烃和叠氮化钠有效地点击合成1,2,3-三唑衍生物的方法。该程序消除了处理潜在在 原位生成的有机叠氮化物的需要。各种各样的基材可以有效地参与该过程，从而以高收率生产出所需的产品。