N,N'-bis(dimethylamionobenzylidene)butane-1,4-diamine | 39779-71-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis(dimethylamionobenzylidene)butane-1,4-diamine
• 英文别名: 4-[(E)-4-[(E)-(4-dimethylaminophenyl)methyleneamino]butyliminomethyl]-N,N-dimethyl-aniline；4-[4-[[4-(dimethylamino)phenyl]methylideneamino]butyliminomethyl]-N,N-dimethylaniline
• CAS: 39779-71-0
• 化学式: C₂₂H₃₀N₄
• 分子量: 350.507
• InChiKey: ZOOYPLZCQSLGOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-bis(dimethylamionobenzylidene)butane-1,4-diamine 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以80%的产率得到N,N'-bis[4-(dimethylaminophenyl)methyl]butane-1,4-diamine
  参考文献：
  名称：

  Synthesis and evaluation of hexahydropyrimidines and diamines as novel hepatitis C virus inhibitors

  摘要：

  In order to identify novel anti-hepatitis C virus (HCV) agents we devised cell-based strategies and screened phenotypically small molecule chemical libraries with infectious HCV particles, and identified a hit compound (1) containing a hexahydropyrimidine (HHP) core. During our cell-based SAR study, we observed a conversion of HHP 1 into a linear diamine (6), which is the active component in inhibiting HCV and exhibited comparable antiviral activity to the cyclic HHP I. In addition, we engaged into the biological characterization of HHP and demonstrated that HHP does not interfere with HCV RNA replication, but with entry and release of viral particles. Here we report the results of the preliminary SAR and mechanism of action studies with HHP. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.09.055
• 作为产物：
  描述：

  四亚甲基二胺 、 对二甲氨基苯甲醛 生成 N,N'-bis(dimethylamionobenzylidene)butane-1,4-diamine
  参考文献：
  名称：

  Colautti; Maurich, Bollettino Chimico Farmaceutico, 1972, vol. 111, # 10, p. 593 - 597

  摘要：

  DOI：

文献信息

• One-dimensional mercury(II) coordination polymers with a flexible bidentate Schiff base ligand (Me2N-Ba)2Bn: Synthesis, characterization, and crystal structures
  作者：A. D. Khalaji、B. Bahramian、K. Jafari、K. Fejfarova、M. Dusek

  DOI：10.1134/s1070328413120051

  日期：2013.12

  one-dimensional mercury(II) complexes, [Hg2(μN,N-((Me2N-Ba)2Bn)(μ-X)2X2] n , where X = Cl (I), Br (II), and I (III), (Me2N-Ba)2Bn = N,N′-bis(dimethylaminobenzylidene)butane-1,4-diamine, involving a bidentate Schiff base with a flexible spacer (=N-C-C-C-C-N=) were prepared under mild condition and characterized by elemental analyses (CHN), FT-IR, 1H & 13C-NMR spectroscopy. The crystal structure of II has been

  三个一维汞（II）络合物[Hg 2（μN ，N -（（Me 2 N-Ba）2 Bn）（μ-X）2 X 2 ] n，其中X = Cl（I），Br （II）和I（III），（Me 2 N-Ba）2 Bn = N，N'-双（二甲基氨基亚苄基）丁烷-1,4-二胺，其中包括带有柔性间隔基的双齿席夫碱（= NCCCCN = ）的温和条件下制备和表征通过元素分析（CHN），FT-IR，1 H＆13 C-NMR光谱学。的晶体结构II 通过X射线单晶衍射确定。每个Hg（II）中心采用由两个晶体学上等价的（Me 2 N-Ba）2 Bn Schiff碱配体形成的扭曲的[HgNBr 3 ]四面体环境。每个配体均作为N 2-双螯合配体，具有两个亚胺的氮原子以反形式形成双核[Hg 2（μN ，N-（Me 2 N-Ba）2 Bn）Br 2 ]。组。这样的双核[Hg 2（μN ，N -（（Me 2 Nvg-Ba）2 Bn）Br
• Samarenko, V. Ya.; Markova, N. R.; Passet, B. V., Journal of Organic Chemistry USSR (English Translation), 1982, p. 122 - 127
  作者：Samarenko, V. Ya.、Markova, N. R.、Passet, B. V.

  DOI：——

  日期：——
• Synthesis and evaluation of hexahydropyrimidines and diamines as novel hepatitis C virus inhibitors
  作者：Jong Yeon Hwang、Hee-Young Kim、Suyeon Jo、Eunjung Park、Jihyun Choi、Sunju Kong、Dong-Sik Park、Ja Myung Heo、Jong Seok Lee、Yoonae Ko、Inhee Choi、Jonathan Cechetto、Jaeseung Kim、Jinhwa Lee、Zaesung No、Marc Peter Windisch

  DOI：10.1016/j.ejmech.2013.09.055

  日期：2013.12

  In order to identify novel anti-hepatitis C virus (HCV) agents we devised cell-based strategies and screened phenotypically small molecule chemical libraries with infectious HCV particles, and identified a hit compound (1) containing a hexahydropyrimidine (HHP) core. During our cell-based SAR study, we observed a conversion of HHP 1 into a linear diamine (6), which is the active component in inhibiting HCV and exhibited comparable antiviral activity to the cyclic HHP I. In addition, we engaged into the biological characterization of HHP and demonstrated that HHP does not interfere with HCV RNA replication, but with entry and release of viral particles. Here we report the results of the preliminary SAR and mechanism of action studies with HHP. (C) 2013 Elsevier Masson SAS. All rights reserved.
• Colautti; Maurich, Bollettino Chimico Farmaceutico, 1972, vol. 111, # 10, p. 593 - 597
  作者：Colautti、Maurich

  DOI：——

  日期：——