(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 6-(1-(5-(2-amino-1H-imidazol-4-yl)pentyl)-1H-1,2,3-triazol-4-yl)hexyl(2-(pyridin-2-yl)ethyl)carbamate | 1279724-18-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 6-(1-(5-(2-amino-1H-imidazol-4-yl)pentyl)-1H-1,2,3-triazol-4-yl)hexyl(2-(pyridin-2-yl)ethyl)carbamate
• 英文别名: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[6-[1-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-4-yl]hexyl]-N-(2-pyridin-2-ylethyl)carbamate
• CAS: 1279724-18-3
• 化学式: C₃₄H₅₄N₈O₂
• 分子量: 606.855
• InChiKey: KACIMGCUDNMNDB-RKVVATLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  44
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 6-(1-(5-(2-amino-1H-imidazol-4-yl)pentyl)-1H-1,2,3-triazol-4-yl)hexyl(2-(pyridin-2-yl)ethyl)carbamate 在 盐酸 作用下， 以 甲醇 为溶剂， 以0.13 g的产率得到(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 6-(1-(5-(2-amino-1H-imidazol-4-yl)pentyl)-1H-1,2,3-triazol-4-yl)hexyl(2-(pyridin-2-yl)ethyl)carbamate hydrochloride
  参考文献：
  名称：

  Synthesis and biological evaluation of 2-aminoimidazole/carbamate hybrid anti-biofilm and anti-microbial agents

  摘要：

  The successful marriage of structural features from our 2-aminoimidazole and menthyl carbamate classes of anti-biofilm agents has resulted in the development of a novel hybrid scaffold of biofilm modulators. The compounds were evaluated against a panel of four bacterial strains for anti-biofilm and anti-microbial activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.057
• 作为产物：
  描述：

  7-叠氮庚酸 在 copper(II) sulfate 、 sodium ascorbate 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 64.0h， 生成 (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 6-(1-(5-(2-amino-1H-imidazol-4-yl)pentyl)-1H-1,2,3-triazol-4-yl)hexyl(2-(pyridin-2-yl)ethyl)carbamate
  参考文献：
  名称：

  Synthesis and biological evaluation of 2-aminoimidazole/carbamate hybrid anti-biofilm and anti-microbial agents

  摘要：

  The successful marriage of structural features from our 2-aminoimidazole and menthyl carbamate classes of anti-biofilm agents has resulted in the development of a novel hybrid scaffold of biofilm modulators. The compounds were evaluated against a panel of four bacterial strains for anti-biofilm and anti-microbial activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.057

文献信息

• Synthesis and biological evaluation of 2-aminoimidazole/carbamate hybrid anti-biofilm and anti-microbial agents
  作者：Steven A. Rogers、Erick A. Lindsey、Daniel C. Whitehead、Trey Mullikin、Christian Melander

  DOI：10.1016/j.bmcl.2010.12.057

  日期：2011.2

  The successful marriage of structural features from our 2-aminoimidazole and menthyl carbamate classes of anti-biofilm agents has resulted in the development of a novel hybrid scaffold of biofilm modulators. The compounds were evaluated against a panel of four bacterial strains for anti-biofilm and anti-microbial activity. (C) 2010 Elsevier Ltd. All rights reserved.