Tert-butyl 4-[5,6-dichloro-1-[3-[5,6-dichloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzimidazol-1-yl]propyl]benzimidazol-2-yl]piperidine-1-carboxylate | 578709-52-1

• 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: Tert-butyl 4-[5,6-dichloro-1-[3-[5,6-dichloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzimidazol-1-yl]propyl]benzimidazol-2-yl]piperidine-1-carboxylate
• CAS: 578709-52-1
• 化学式: C₃₇H₄₆Cl₄N₆O₄
• 分子量: 780.622
• InChiKey: XXBUHNXLELQCSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  51
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  94.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[5,6-dichloro-1-[3-[5,6-dichloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzimidazol-1-yl]propyl]benzimidazol-2-yl]piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 5,6-Dichloro-1-[3-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)propyl]-2-piperidin-4-ylbenzimidazole
  参考文献：
  名称：

  Synthesis and biological evaluations of novel benzimidazoles as potential antibacterial agents

  摘要：

  A series of novel benzimidazole derivatives were synthesized via parallel solution-phase chemistry. Many of these compounds were found to inhibit the growth of Staphylococcus aureus and Escherichia coli. Several analogues exhibited low micromolar minimal inhibitory concentrations (MIC) against both Gram-positive and Gram-negative bacteria of clinical relevance and could serve as leads for further optimizations for antibacterial research. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.051
• 作为产物：
  描述：

  1-Boc-4-哌啶甲酸 在 4-二甲氨基吡啶 、 sodium hydroxide 、 sodium hydride 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 生成 Tert-butyl 4-[5,6-dichloro-1-[3-[5,6-dichloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzimidazol-1-yl]propyl]benzimidazol-2-yl]piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis and biological evaluations of novel benzimidazoles as potential antibacterial agents

  摘要：

  A series of novel benzimidazole derivatives were synthesized via parallel solution-phase chemistry. Many of these compounds were found to inhibit the growth of Staphylococcus aureus and Escherichia coli. Several analogues exhibited low micromolar minimal inhibitory concentrations (MIC) against both Gram-positive and Gram-negative bacteria of clinical relevance and could serve as leads for further optimizations for antibacterial research. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.051

文献信息

• US7244847B2
  申请人：——

  公开号：US7244847B2

  公开（公告）日：2007-07-17
• Synthesis and biological evaluations of novel benzimidazoles as potential antibacterial agents
  作者：Yun He、Jun Yang、Baogen Wu、Lisa Risen、Eric E Swayze

  DOI：10.1016/j.bmcl.2003.12.051

  日期：2004.3

  A series of novel benzimidazole derivatives were synthesized via parallel solution-phase chemistry. Many of these compounds were found to inhibit the growth of Staphylococcus aureus and Escherichia coli. Several analogues exhibited low micromolar minimal inhibitory concentrations (MIC) against both Gram-positive and Gram-negative bacteria of clinical relevance and could serve as leads for further optimizations for antibacterial research. (C) 2003 Elsevier Ltd. All rights reserved.