N¹-benzyldodecane-1,12-diamine | 216961-16-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N¹-benzyldodecane-1,12-diamine
• 英文别名: N-benzyl-1,12-dodecyldiamine；N'-benzyldodecane-1,12-diamine
• CAS: 216961-16-9
• 化学式: C₁₉H₃₄N₂
• 分子量: 290.492
• InChiKey: LVYCVMYIGVPVJH-UHFFFAOYSA-N

物化性质

• 沸点：
  404.3±18.0 °C(predicted)
• 密度：
  0.918±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 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：

  N¹-benzyldodecane-1,12-diamine 在 甲酸 、 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 26.0h， 生成 N¹-benzyl-N¹-methyldodecane-1,12-diamine
  参考文献：
  名称：

  Novel polyamine analogues: From substrates towards potential inhibitors of monoamine oxidases

  摘要：

  New polyamine derivatives 1-8, related to the previously reported N-1,N-12-dibenzyldodecane-1,12-diamine (Bis-Bza-Diado) and N-1-benzyl-spermine (BD6), have been synthesized and used as "probes" (potential substrates or inhibitors) of the human monoamine oxidases (MAO A and MAO B) and VascularAdhesion-protein -1 (VAP-1). Compound 8, the most effective inhibitor of the series, is characterized by a 12-methylene carbon chain ending with an isothiocyanate (ITC) group. Interestingly, it behaves as competitive inhibitor of MAO B and as irreversible inhibitor of MAO A. Compound 3, an asymmetric spermine analogue bearing a thiophene ring, acts as a reversible mixed inhibitor, selective for MAO B (K-IE = 23 mu M). Docking studies performed using the available Protein Data Bank (PDB) structures of MAO A and MAO B, suggested that the different mode of inhibition of 8 may be explained by the different binding poses of 8 into the active site cavities of the two MAO isoforms. The epsilon-amino group of Lys 305 of MAO A is proposed as possible target of the ITC group of the inhibitor. Further studies are in progress to confirm this hypothesis.These results indicate a potential use of the polyamine scaffold for the development of new MAO inhibitors for application in human pathologies involving these enzymes. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.07.005
• 作为产物：
  描述：

  N¹-[1-Phenyl-meth-(E)-ylidene]-dodecane-1,12-diamine 在 sodium tetrahydroborate 作用下， 生成 N¹-benzyldodecane-1,12-diamine
  参考文献：
  名称：

  大烯胺内酰胺的快速合成，一类新型的大环化合物

  摘要：

  摘要 报道了使用基于 Meldrum 酸衍生物热分解的原始合成方法有效制备烯氨基内酰胺的方法。关键步骤涉及 ω-氨基烷基-氨基甲基烯酮的分子内加成。

  DOI：

  10.1080/00397919908086167

文献信息

• Compositions comprising a biocidal polyamine
  申请人：Curza Global, LLC

  公开号：US08853278B1

  公开（公告）日：2014-10-07

  Compounds, compositions, and methods comprising a polyamine compound are described, which may be used to kill, disperse, treat, reduce biofilms, and/or inhibit or substantially prevent biofilm formation. In certain aspects, the present invention relates to compounds, compositions, and methods comprising polyamine compounds that have antimicrobial or dispersing activity against a variety of bacterial strains capable of forming biofilms.

  描述了包含聚胺化合物的化合物、组合物和方法，可用于杀灭、分散、处理、减少生物膜，并/或抑制或基本防止生物膜形成。在某些方面，本发明涉及包含具有抗微生物或分散活性的聚胺化合物的化合物、组合物和方法，这些化合物对能够形成生物膜的各种细菌菌株具有作用。
• COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE
  申请人：Curza Global, LLC

  公开号：US20150038512A1

  公开（公告）日：2015-02-05

  Compounds, compositions, and methods comprising a polyamine compound are described, which may be used to kill, disperse, treat, or reduce biofilms, or to inhibit or substantially prevent biofilm formation. In certain aspects, the present invention relates to compounds, compositions, and methods comprising polyamine compounds that have antimicrobial or dispersing activity against a variety of bacterial strains capable of forming biofilms.

  本发明涉及一种包含聚胺化合物的化合物、组合物和方法，可用于杀死、分散、治疗或减少生物膜，或抑制或大幅预防生物膜的形成。在某些方面，本发明涉及包含聚胺化合物的化合物、组合物和方法，其具有针对能够形成生物膜的各种细菌菌株的抗微生物或分散活性。
• METHODS OF USE COMPRISING A BIOCIDAL POLYAMINE
  申请人：Curza Global, LLC

  公开号：US20150038705A1

  公开（公告）日：2015-02-05

  Compounds, compositions, and methods comprising a polyamine compound are described, which may be used to kill, disperse, treat, reduce biofilms, and/or inhibit or substantially prevent biofilm formation. In certain aspects, the present invention relates to compounds, compositions, and methods comprising polyamine compounds that have antimicrobial or dispersing activity against a variety of bacterial strains capable of forming biofilms.

  本发明描述了包含聚胺化合物的化合物、组合物和方法，可用于杀灭、分散、治疗、减少生物膜和/或抑制或实质性地预防生物膜形成。在某些方面，本发明涉及包含具有抗微生物或分散活性的聚胺化合物的化合物、组合物和方法，用于对能够形成生物膜的各种细菌菌株进行处理。
• METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE
  申请人：The University of Utah

  公开号：US20140350017A1

  公开（公告）日：2014-11-27

  Compounds, compositions, and methods comprising a polyamine compound are described, which may be used to kill, disperse, treat, reduce biofilms, and/or inhibit or substantially prevent biofilm formation. In certain aspects, the present invention relates to compounds, compositions, and methods comprising polyamine compounds that have antimicrobial or dispersing activity against a variety of bacterial strains capable of forming biofilms.

  本发明涉及包含聚胺化合物的化合物、组合物和方法，可用于杀灭、分散、治疗、减少生物膜，以及抑制或几乎完全防止生物膜形成。在某些方面，本发明涉及包含聚胺化合物的化合物、组合物和方法，这些化合物具有抗微生物或分散活性，可对能够形成生物膜的各种细菌菌株产生影响。
• Process for preparing N-substituted maleimides
  申请人：DAIHACHI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0812824A1

  公开（公告）日：1997-12-17

  Provided is a process for preparing a N-substituted maleimide including reacting maleic anhydride with a primary amine using both a non-polar solvent and a protic polar solvent in the presence of an acid catalyst.

  本发明提供了一种制备 N-取代马来酰亚胺的工艺，包括在酸催化剂存在下使用非极性溶剂和原极性溶剂使马来酸酐与伯胺反应。