2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-(4-methoxybenzyl)acetamide | 1192370-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-(4-methoxybenzyl)acetamide
• 英文别名: 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
• CAS: 1192370-49-2
• 化学式: C₁₈H₂₃N₇O₂
• 分子量: 369.426
• InChiKey: CTZYFTULANPCDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-(4-methoxybenzyl)acetamide 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以0.054 g的产率得到2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-(4-methoxybenzyl)acetamide hydrochloride
  参考文献：
  名称：

  Modulating the development of E. coli biofilms with 2-aminoimidazoles

  摘要：

  The synthesis of a 20 member 2-aminoimidazole/triazole pilot library is reported. Each member of the library was screened for its ability to inhibit or promote biofilm development of either Escherichia coli and Acinetobacter baumannii. From this screen, E. coli-selective 2-aminoimidazoles were discovered, with the best inhibitor inhibiting biofilm development with an IC(50) of 13 mu M. The most potent promoter of E. coli biofilm formation promoted biofilm development by 321% at 400 mu M. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.075
• 作为产物：
  描述：

  tert-butyl 2-amino-4-(3-(1-(2-(4-methoxybenzylamino)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)propyl)-1H-imidazole-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-(4-methoxybenzyl)acetamide
  参考文献：
  名称：

  Modulating the development of E. coli biofilms with 2-aminoimidazoles

  摘要：

  The synthesis of a 20 member 2-aminoimidazole/triazole pilot library is reported. Each member of the library was screened for its ability to inhibit or promote biofilm development of either Escherichia coli and Acinetobacter baumannii. From this screen, E. coli-selective 2-aminoimidazoles were discovered, with the best inhibitor inhibiting biofilm development with an IC(50) of 13 mu M. The most potent promoter of E. coli biofilm formation promoted biofilm development by 321% at 400 mu M. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.075

文献信息

• INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES
  申请人：Melander Christian

  公开号：US20090263438A1

  公开（公告）日：2009-10-22

  Disclosure is provided for imidazole-triazole derivative compounds that prevent, remove and/or inhibit the formation of biofilms, compositions comprising these compounds, devices comprising these compounds, and methods of using the same.

  披露了咪唑-三唑衍生物化合物，用于防止、移除和/或抑制生物膜的形成，包含这些化合物的组合物，包含这些化合物的设备，以及使用这些化合物的 methods。
• US7897631B2
  申请人：——

  公开号：US7897631B2

  公开（公告）日：2011-03-01
• US8367713B2
  申请人：——

  公开号：US8367713B2

  公开（公告）日：2013-02-05
• US9145395B2
  申请人：——

  公开号：US9145395B2

  公开（公告）日：2015-09-29
• Modulating the development of E. coli biofilms with 2-aminoimidazoles
  作者：Catherine S. Reed、Robert W. Huigens、Steven A. Rogers、Christian Melander

  DOI：10.1016/j.bmcl.2010.08.075

  日期：2010.11

  The synthesis of a 20 member 2-aminoimidazole/triazole pilot library is reported. Each member of the library was screened for its ability to inhibit or promote biofilm development of either Escherichia coli and Acinetobacter baumannii. From this screen, E. coli-selective 2-aminoimidazoles were discovered, with the best inhibitor inhibiting biofilm development with an IC(50) of 13 mu M. The most potent promoter of E. coli biofilm formation promoted biofilm development by 321% at 400 mu M. (C) 2010 Elsevier Ltd. All rights reserved.