tert-butyl 2-amino-4-(7-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy)carbonylamino)heptyl)-1H-imidazole-1-carboxylate | 1279724-30-9

• 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: tert-butyl 2-amino-4-(7-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy)carbonylamino)heptyl)-1H-imidazole-1-carboxylate
• CAS: 1279724-30-9
• 化学式: C₂₆H₄₆N₄O₄
• 分子量: 478.676
• InChiKey: MYXCKWHOWITTCZ-BAGYTPMASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.93
• 重原子数：
  34.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  108.47
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-amino-4-(7-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy)carbonylamino)heptyl)-1H-imidazole-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 7-(2-amino-1H-imidazol-4-yl)heptylcarbamate
  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：

  tert-butyl 2-amino-4-(7-azidoheptyl)-1H-imidazole-1-carboxylate 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 tert-butyl 2-amino-4-(7-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy)carbonylamino)heptyl)-1H-imidazole-1-carboxylate
  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