tert-butyl 2-amino-4-(5-(1-(2-heptadec-8-enamidoethyl)-1H-1,2,3-triazol-4-yl)pentyl)-1H-imidazole-1-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl 2-amino-4-(5-(1-(2-heptadec-8-enamidoethyl)-1H-1,2,3-triazol-4-yl)pentyl)-1H-imidazole-1-carboxylate
• 英文别名: Tert-butyl 2-amino-4-(5-(1-(2-heptadec-8-enamidoethyl)-1h-1,2,3-triazol-4-yl)pentyl)-1h-imidazole-1-carboxylate；tert-butyl 2-amino-4-[5-[1-[2-(heptadec-8-enoylamino)ethyl]triazol-4-yl]pentyl]imidazole-1-carboxylate
• 化学式: C₃₄H₅₉N₇O₃
• 分子量: 613.888
• InChiKey: KCCJLMPZZQMRMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  44
• 可旋转键数：
  25
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-amino-4-(hept-6-ynyl)-imidazole-1-carboxylic acid tert-butyl ester 、 N-(2-azidoethyl)octadec-9-enamide 以to give tert-butyl 2-amino-4-(5-(1-(2-heptadec-8-enamidoethyl)-1H-1,2,3-triazol-4-yl)pentyl)-1H-imidazole-1-carboxylate 1H NMR (300 MHz, CDCl3) δ 7.26 (s, 1H), δ 6.81 (s, 1H), δ 6.42 (s, 2H), δ 5.88 (s, 1H), δ 5.27 (s, 2H), δ 4.38 (s, 2H), δ 3.65 (s, 2H), δ 2.60 (s, 2H), δ 2.09 (s, 2H), δ 1.53-1.01 (m, 35H), 0.79 (t, 3H) ppm的产率得到tert-butyl 2-amino-4-(5-(1-(2-heptadec-8-enamidoethyl)-1H-1,2,3-triazol-4-yl)pentyl)-1H-imidazole-1-carboxylate
  参考文献：
  名称：

  INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES

  摘要：

  本发明提供了咪唑-三唑衍生物化合物的披露，其可预防、去除和/或抑制生物膜的形成，包括这些化合物的组合物、包含这些化合物的设备以及使用它们的方法。

  公开号：

  US20110117158A1

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.

  本文提供了一种咪唑-三唑衍生物化合物的披露，该化合物可以预防、去除和/或抑制生物膜的形成，包括这些化合物的组合物、包含这些化合物的设备以及使用它们的方法。
• INHIBITION AND DISPERSION OF BIOFILMS IN PLANTS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES
  申请人：Melander Christian

  公开号：US20110294668A1

  公开（公告）日：2011-12-01

  Disclosure is provided for methods of preventing, removing or inhibiting microbial biofilm formation or microbial infection in a plant or plant part thereof, including applying thereto a treatment effective amount of an active compound as described herein, or an agriculturally acceptable salt thereof. Methods of enhancing a microbicide (e.g., including a copper, antibiotic, bacteriophage, etc.) and/or plant defense activator are also provided, including applying an active compound as described herein. Compositions comprising an active compound as described herein in an agriculturally acceptable carrier are also provided, and in some embodiments the compositions further include a microbicide (e.g., including copper, antibiotic, bacteriophage, etc.) and/or plant defense activator.

  本文提供了一种防止、去除或抑制植物或植物部分中微生物生物膜形成或微生物感染的方法，包括施用本文所述的活性化合物或其农业上可接受的盐的治疗有效量。本文还提供了增强微生物杀菌剂（例如铜、抗生素、噬菌体等）和/或植物防御活化剂的方法，包括施用本文所述的活性化合物。本文还提供了包含本文所述的活性化合物在农业上可接受的载体中的组合物，有些实施例中，该组合物还包括微生物杀菌剂（例如铜、抗生素、噬菌体等）和/或植物防御活化剂。
• Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives
  申请人：North Carolina State University

  公开号：US07897631B2

  公开（公告）日：2011-03-01

  Disclosure is provided for imidazole-triazole derivative compounds such as those given in Formulas (I)-(VI) that prevent, remove and/or inhibit the formation of biofilms, compositions comprising these compounds, devices comprising these compounds, and methods of using the same.

  本文提供了关于咪唑-三唑衍生物化合物的披露，例如公式（I）-（VI）中所给出的化合物，这些化合物可以预防、去除和/或抑制生物膜的形成，包括这些化合物的组合物、含这些化合物的设备，以及使用它们的方法。
• Inhibition and dispersion of biofilms in plants with imidazole-triazole derivatives
  申请人：North Carolina State University

  公开号：US09351491B2

  公开（公告）日：2016-05-31

  Disclosure is provided for methods of preventing, removing or inhibiting microbial biofilm formation or microbial infection in a plant or plant part thereof, including applying thereto a treatment effective amount of an active compound as described herein, or an agriculturally acceptable salt thereof. Methods of enhancing a microbicide (e.g., including a copper, antibiotic, bacteriophage, etc.) and/or plant defense activator are also provided, including applying an active compound as described herein. Compositions comprising an active compound as described herein in an agriculturally acceptable carrier are also provided, and in some embodiments the compositions further include a microbicide (e.g., including copper, antibiotic, bacteriophage, etc.) and/or plant defense activator.

  本文提供了预防、清除或抑制植物或植物部分中微生物生物膜形成或微生物感染的方法的披露，包括向其施加有效量的活性化合物或其农业可接受盐的处理。还提供了增强微生物杀菌剂（例如，包括铜、抗生素、噬菌体等）和/或植物防御激活剂的方法，包括施用本文所述的活性化合物。还提供了包含本文所述的活性化合物在农业可接受载体中的组合物，在某些实施例中，该组合物还包括微生物杀菌剂（例如，包括铜、抗生素、噬菌体等）和/或植物防御激活剂。