N-(3-(4-(4-tert-butylphenyl)-1H-1,2,3-triazol-1-yl)propyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-amine | 1421466-42-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(3-(4-(4-tert-butylphenyl)-1H-1,2,3-triazol-1-yl)propyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-amine
• 英文别名: N-[3-[4-(4-tert-butylphenyl)triazol-1-yl]propyl]-5-(3,4-dichlorophenyl)-1H-imidazol-2-amine
• CAS: 1421466-42-3
• 化学式: C₂₄H₂₆Cl₂N₆
• 分子量: 469.417
• InChiKey: SIKPAHNBFXGILC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  71.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-叔-丁基苯基乙炔 、 1-(3-azidopropyl)-2-(3,4-dichlorophenyl)-2-hydroxy-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-4-ium bromide 在 copper diacetate 、 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 0.03h， 以85%的产率得到N-(3-(4-(4-tert-butylphenyl)-1H-1,2,3-triazol-1-yl)propyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-amine
  参考文献：
  名称：

  Microwave-assisted one-pot synthesis and anti-biofilm activity of 2-amino-1H-imidazole/triazole conjugates

  摘要：

  开发了一种微波辅助协议，用于构建具有抗生物膜活性的2-氨基-1H-咪唑/三唑共轭物。

  DOI：

  10.1039/c3ob42282h

文献信息

• COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS
  申请人：De Keersmaecker Sigrid

  公开号：US20130029981A1

  公开（公告）日：2013-01-31

  The invention relates to substituted 2-aminoimidazoles and their imidazo[1,2- a ]pyrimidinium salts precursors being active against biofilm formation. The invention also relates to imidazo[1,2- a ]pyrimidinium salts bearing an azidoalkyl substituent, and to substituted 2-aminoimidazoles wherein the amino group bears a terminal heterocyclic group such as a triazolyl group which are formed through azide-alkyne Huisgen cycloaddition starting from said imidazo[1,2- a ]pyrimidinium salts bearing an azidoalkyl substituent. The invention also relates to a class of N-(azidoalkyl)pyrimidin-2-amines useful as starting materials for the synthesis of said imidazo[1,2- a ]pyrimidinium salts bearing an azidoalkyl substituent. The invention also relates to antimicrobial compositions that include a microbial biofilm formation inhibiting amount of such substituted 2-aminoimidazoles or imidazo[1,2- a ]pyrimidinium salts in combination with excipients. Methods for inhibiting or controlling microbial biofilm formation in a plant, a body part of a human or an animal, or a surface with which a human or an animal may come into contact are also disclosed.
• US8906915B2
  申请人：——

  公开号：US8906915B2

  公开（公告）日：2014-12-09