N-methoxy-N-methyl-3,4-diaminobenzamide | 660432-02-0

• 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: N-methoxy-N-methyl-3,4-diaminobenzamide
• 英文别名: N-[methyl] N-[methoxy] 3,4-diaminobenzamide；3,4-diamino-N-methoxy-N-methylbenzamide
• CAS: 660432-02-0
• 化学式: C₉H₁₃N₃O₂
• mdl: MFCD20545785
• 分子量: 195.221
• InChiKey: JKZTVZPRTWEGGK-UHFFFAOYSA-N

物化性质

• 熔点：
  95-96 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  454.9±35.0 °C(Predicted)
• 密度：
  1.254±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  81.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-methoxy-N-methyl-3,4-diaminobenzamide 在 sodium hydroxide 、 sodium disulfite 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 水 为溶剂， 反应 72.5h， 生成 2'-(4-hydroxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzoimidazoyl-4-carboxylic acid
  参考文献：
  名称：

  Design of New Bidentate Ligands Constructed of Two Hoechst 33258 Units for Discrimination of the Length of Two A₃T₃ Binding Motifs

  摘要：

  The aim of this study is to develop bidentate minor-groove binders that bind the double binding motifs cooperatively. The new bidentate ligands (1) have been designed by connecting two Hoechst 33258 units with a polyether linker for cooperative binding with two remote A(3)T(3) sites of DNA. The linker is introduced to the benzimidazole ring so that it is located at the convex side of the Hoechst unit. DNA binding affinity of the ligands was evaluated by measuring surface plasmon resonance (SPR), circular dichroism, and fluorescence spectra. Interestingly, the bidentate ligands (1) did not show affinity to DNA1 with a single A(3)T(3) motif but showed selective affinity to DNA2 with two A(3)T(3) motifs. The Long Bis-H (1L) having a long polyether linker showed specific binding to DNA2(6) with two A3T3 motifs separated by six nonbinding base pairs. The Long Bis-H (1L) has also shown specific binding to the three-way junction DNA4 with two A(3)T(3) motifs. This study has demonstrated that DNA with double binding motifs can be selectively recognized by the newly designed bidentate ligands.

  DOI：

  10.1021/jo051836t
• 作为产物：
  描述：

  N-methoxy-N-methyl-3,4-dinitrobenzamide 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 N-methoxy-N-methyl-3,4-diaminobenzamide
  参考文献：
  名称：

  新型苯并咪唑衍生物作为抗真菌剂的合成与研究

  摘要：

  多种病原性真菌菌株对抗真菌药物的抵抗性的上升和出现导致对新抗真菌药物的需求增加。过去已经研究了具有不同作用机理的多种杂环支架。本文中，我们报道了18种烷基化的单，双和三苯并咪唑衍生物的合成和抗真菌活性，它们对哺乳动物细胞的毒性以及在酵母细胞中诱导活性氧（ROS）的能力。我们的许多双苯并咪唑化合物对所有测试的真菌菌株均表现出中等至出色的抗真菌活性，MIC值为15.6至0.975μg/ mL。发现我们的双苯并咪唑类的真菌活性谱取决于烷基链长。

  DOI：

  10.1016/j.bmc.2016.06.010

文献信息

• [EN] BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE<br/>[FR] BENZIMIDAZOLES ET BENZOTHIAZOLES UTILISES COMME INHIBITEURS DE LA MAP KINASE
  申请人：LILLY CO ELI

  公开号：WO2004014900A1

  公开（公告）日：2004-02-19

  The present invention provides kinase inhibitors of Formula I: wherein W represents inter alia imidazol, oxazol, pyrazol, thiazol as triazol, which are substituted by phenyl or thienyl. The disclosed compounds inhibit p-38 kinase and are useful in the treatment of metastasis or rheumatoid arthritis.

  本发明提供了一种化合物I的激酶抑制剂：其中W代表咪唑、噁唑、吡唑、噻唑或三唑等，这些化合物被苯基或噻吩基取代。所公开的化合物抑制p-38激酶，在转移或类风湿性关节炎的治疗中很有用。
• Synthesis and investigation of novel benzimidazole derivatives as antifungal agents
  作者：Nishad Thamban Chandrika、Sanjib K. Shrestha、Huy X. Ngo、Sylvie Garneau-Tsodikova

  DOI：10.1016/j.bmc.2016.06.010

  日期：2016.8

  pathogenic fungal strains have resulted in an increase in demand for new antifungal agents. Various heterocyclic scaffolds with different mechanisms of action against fungi have been investigated in the past. Herein, we report the synthesis and antifungal activities of 18 alkylated mono-, bis-, and trisbenzimidazole derivatives, their toxicities against mammalian cells, as well as their ability to induce

  多种病原性真菌菌株对抗真菌药物的抵抗性的上升和出现导致对新抗真菌药物的需求增加。过去已经研究了具有不同作用机理的多种杂环支架。本文中，我们报道了18种烷基化的单，双和三苯并咪唑衍生物的合成和抗真菌活性，它们对哺乳动物细胞的毒性以及在酵母细胞中诱导活性氧（ROS）的能力。我们的许多双苯并咪唑化合物对所有测试的真菌菌株均表现出中等至出色的抗真菌活性，MIC值为15.6至0.975μg/ mL。发现我们的双苯并咪唑类的真菌活性谱取决于烷基链长。
• [EN] NOVEL PHENAZINE DERIVATIVES AND THEIR USE<br/>[FR] NOUVEAUX DÉRIVÉS DE PHÉNAZINE ET LEUR UTILISATION
  申请人：UNIV CATHOLIQUE LOUVAIN

  公开号：WO2012085222A1

  公开（公告）日：2012-06-28

  The present invention is directed to novel compounds of formula (I) and their use as anti-angiogenic agents and anti-cancer agents.

  本发明涉及式（I）的新化合物及其作为抗血管生成和抗癌剂的用途。
• NOVEL PHENAZINE DERIVATIVES AND THEIR USES
  申请人：Feron Olivier

  公开号：US20130289030A1

  公开（公告）日：2013-10-31

  The present invention is directed to novel compounds of formula I and their use as anti-angiogenic agents and anti-cancer agents.

  本发明涉及一种新型化合物的公式I及其用作抗血管生成和抗癌剂的用途。
• Methods and compositions related to viral inhibition
  申请人：Arya Dev P.

  公开号：US09072761B2

  公开（公告）日：2015-07-07

  Disclosed herein are compounds, compositions and methods related to viral inhibition. In some forms, the compounds, compositions and methods are related to binding RNA.

  本文揭示了与病毒抑制相关的化合物、组合物和方法。在某些形式中，这些化合物、组合物和方法与结合RNA有关。