5,6-二氯-2-哌啶-4-基-1-(吡啶-4-基甲基)苯并咪唑 | 578708-03-9

• 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: 5,6-二氯-2-哌啶-4-基-1-(吡啶-4-基甲基)苯并咪唑
• 英文名称: 5,6-Dichloro-2-piperidin-4-yl-1-pyridin-4-ylmethyl-1H-benzoimidazole
• 英文别名: 1H-Benzimidazole, 5,6-dichloro-2-(4-piperidinyl)-1-(4-pyridinylmethyl)-；5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole
• CAS: 578708-03-9
• 化学式: C₁₈H₁₈Cl₂N₄
• 分子量: 361.274
• InChiKey: BORHXPPYEHZCOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-哌啶甲酸 在 PPA 、 imidazolecarbonyl-deriv. Wang resin 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 5,6-二氯-2-哌啶-4-基-1-(吡啶-4-基甲基)苯并咪唑
  参考文献：
  名称：

  Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry

  摘要：

  A series of novel benzimidazoles were efficiently synthesized using both solution- and solid-phase chemistry. These compounds were found to bind to the bacterial 16S ribosomal RNA A-site with micromolar affinities using unique mass spectrometry-based assays. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.031

文献信息

• 2-Piperidin-4-yl-benzimidazoles with broad spectrum antibacterial activities
  作者：Yun He、Baogen Wu、Jun Yang、Dale Robinson、Lisa Risen、Ray Ranken、Lawrence Blyn、Suzie Sheng、Eric E Swayze

  DOI：10.1016/s0960-894x(03)00661-9

  日期：2003.10

  A series of 2-piperidin-4-yl-benzimidazoles were synthesized and evaluated for antibacterial activities. Certain compounds inhibit bacterial growth with low micromolar minimal inhibitory concentration (MIC). These benzimidazoles arc effective against both Gram-positive and Gram-negative bacteria of clinical importance, particularly entercococci, and represent a new class of potential antibacterial agents. (C) 2003 Elsevier Ltd. All rights reserved.
• Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry
  作者：Yun He、Jun Yang、Baogen Wu、Dale Robinson、Kelly Sprankle、Pei-Pei Kung、Kristin Lowery、V. Mohan、Steve Hofstadler、Eric E. Swayze、Rich Griffey

  DOI：10.1016/j.bmcl.2003.11.031

  日期：2004.2

  A series of novel benzimidazoles were efficiently synthesized using both solution- and solid-phase chemistry. These compounds were found to bind to the bacterial 16S ribosomal RNA A-site with micromolar affinities using unique mass spectrometry-based assays. (C) 2003 Elsevier Ltd. All rights reserved.