4-(1-{4-[(2-Amino-ethylamino)-methyl]-benzyl}-5,6-dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester | 614753-05-8

• 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: 4-(1-{4-[(2-Amino-ethylamino)-methyl]-benzyl}-5,6-dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-[1-[[4-[(2-aminoethylamino)methyl]phenyl]methyl]-5,6-dichlorobenzimidazol-2-yl]piperidine-1-carboxylate；tert-butyl 4-[1-[[4-[(2-aminoethylamino)methyl]phenyl]methyl]-5,6-dichlorobenzimidazol-2-yl]piperidine-1-carboxylate
• CAS: 614753-05-8
• 化学式: C₂₇H₃₅Cl₂N₅O₂
• 分子量: 532.513
• InChiKey: KOYPTHHDTVSCKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  85.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(1-{4-[(2-Amino-ethylamino)-methyl]-benzyl}-5,6-dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 N¹-[4-(5,6-Dichloro-2-piperidin-4-yl-benzoimidazol-1-ylmethyl)-benzyl]-ethane-1,2-diamine
  参考文献：
  名称：

  2-Piperidin-4-yl-benzimidazoles with broad spectrum antibacterial activities

  摘要：

  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.

  DOI：

  10.1016/s0960-894x(03)00661-9
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-(1-{4-[(2-Amino-ethylamino)-methyl]-benzyl}-5,6-dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  2-Piperidin-4-yl-benzimidazoles with broad spectrum antibacterial activities

  摘要：

  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.

  DOI：

  10.1016/s0960-894x(03)00661-9

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.