N-(3,7-dimethyloctyl)-N'-(2-adamantyl)ethane-1,2-diamine | 1227141-93-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(3,7-dimethyloctyl)-N'-(2-adamantyl)ethane-1,2-diamine
• 英文别名: N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine
• CAS: 1227141-93-6
• 化学式: C₂₂H₄₂N₂
• 分子量: 334.589
• InChiKey: QGCOZRKJDNMJOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(3,7-dimethyloctyl)-N'-(2-adamantyl)ethane-1,2-diamine 在 盐酸 作用下， 以 甲醇 为溶剂， 以0.46 g的产率得到N¹-((1r,3r,5r,7r)-adamantan-2-yl)-N²-((E)-3,7-dimethyloctyl)ethane-1,2-diamine dihydrochloride
  参考文献：
  名称：

  Synthesis and evaluation of SQ109 analogues as potential anti-tuberculosis candidates

  摘要：

  As part of an ongoing project to develop highly potent anti-tuberculosis therapeutics, six SQ109 derivatives were synthesized and screened in vitro for their anti-tuberculosis activity against the ATCC strain H37Rv and the extensively drug-resistant clinical strain XDR 173. Compound 16 with an extended alkene chain was the most active against both strains of Mycobacterium tuberculosis within a MIC range of 0.5-0.25 mu M. Compound 12 and SQ109 were potent within a MIC range of 1-0.5 mu M, whilst compound 18 displayed an activity within the MIC range of 0.5-2 mu M against both Mycobacterium tuberculosis strains. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.01.046
• 作为产物：
  描述：

  N-geranyl-N'-(2-adamantyl)ethane-1,2-diamine dihydrochloride 在 palladium 10% on activated carbon 、 甲酸铵 、 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 N-(3,7-dimethyloctyl)-N'-(2-adamantyl)ethane-1,2-diamine
  参考文献：
  名称：

  Synthesis and evaluation of SQ109 analogues as potential anti-tuberculosis candidates

  摘要：

  As part of an ongoing project to develop highly potent anti-tuberculosis therapeutics, six SQ109 derivatives were synthesized and screened in vitro for their anti-tuberculosis activity against the ATCC strain H37Rv and the extensively drug-resistant clinical strain XDR 173. Compound 16 with an extended alkene chain was the most active against both strains of Mycobacterium tuberculosis within a MIC range of 0.5-0.25 mu M. Compound 12 and SQ109 were potent within a MIC range of 1-0.5 mu M, whilst compound 18 displayed an activity within the MIC range of 0.5-2 mu M against both Mycobacterium tuberculosis strains. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.01.046

文献信息

• [EN] ANTI-MICROBIAL COMPOUNDS AND COMPOSITIONS<br/>[FR] COMPOSÉS ET COMPOSITIONS ANTIMICROBIENS
  申请人：UNIV ILLINOIS

  公开号：WO2015035234A2

  公开（公告）日：2015-03-12

  The invention provides a novel compounds and methods of using the compounds. The invention also provides methods of using a variety of compounds to treat infections, such as bacterial or parasitic infections. The compounds can also be used to kill or inhibit the growth of bacteria or parasites. In one embodiment, the compounds are particularly effective for the treatment or inhibition of tuberculosis.