N¹-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]ethane-1,2-diamine | 1227090-47-2

• 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: N¹-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]ethane-1,2-diamine
• 英文别名: N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine
• CAS: 1227090-47-2
• 化学式: C₁₇H₃₂N₂
• 分子量: 264.454
• InChiKey: POQNDHUZNJDBML-BTMZFSHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  金刚烷酮 、 N¹-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]ethane-1,2-diamine 以 甲醇 为溶剂， 反应 2.0h， 生成
  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：

  反,反-法呢基溴 、 乙二胺 以 二氯甲烷 为溶剂， 以86%的产率得到N¹-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]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

• Use of polyaminoisoprenyl derivatives in antibiotic or antiseptic treatment
  申请人：UNIVERSITE D'AIX-MARSEILLE

  公开号：US10562842B2

  公开（公告）日：2020-02-18

  The present invention relates to the use of polyaminoisoprenyl derivatives in antibiotic or antiseptic treatment of bacteria including those presenting multiple drug resistance (MDR), in particular as efflux pump inhibitors. It also relates to novel polyaminoisoprenyl derivatives, compositions comprising the same, process for preparing the same, and use thereof in antibiotic or antiseptic treatment.

  本发明涉及聚氨基异戊烯基衍生物在抗生素或防腐剂治疗细菌（包括具有多重耐药性（MDR）的细菌）中的用途，特别是作为外排泵抑制剂。本发明还涉及新型聚氨基异戊烯基衍生物、包含聚氨基异戊烯基衍生物的组合物、制备聚氨基异戊烯基衍生物的工艺及其在抗生素或防腐剂治疗中的用途。
• USE OF POLYAMINOISOPRENYL DERIVATIVES IN ANTIBIOTIC OR ANTISEPTIC TREATMENT
  申请人：Université d'Aix-Marseille

  公开号：EP2678307B1

  公开（公告）日：2018-04-04
• US9464032B2
  申请人：——

  公开号：US9464032B2

  公开（公告）日：2016-10-11
• Synthesis and evaluation of SQ109 analogues as potential anti-tuberculosis candidates
  作者：Oluseye K. Onajole、Patrick Govender、Paul D. van Helden、Hendrik G. Kruger、Glenn E.M. Maguire、Ian Wiid、Thavendran Govender

  DOI：10.1016/j.ejmech.2010.01.046

  日期：2010.5

  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.