1,3-Bis-{[1-(4-dimethylamino-phenyl)-meth-(E)-ylidene]-amino}-2-((E)-2-dimethylamino-vinyl)-3H-imidazol-1-ium; chloride | 115052-79-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3-Bis-{[1-(4-dimethylamino-phenyl)-meth-(E)-ylidene]-amino}-2-((E)-2-dimethylamino-vinyl)-3H-imidazol-1-ium; chloride
• 英文别名: 1,3-Bis[[p-(dimethylamino)benzylidene]amino]-2-[2-(dimethylamino)vinyl]imidazolium chloride；4-[[2-[2-(dimethylamino)ethenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]imidazol-3-ium-1-yl]iminomethyl]-N,N-dimethylaniline;chloride
• CAS: 115052-79-4
• 化学式: C₂₅H₃₂N₇*Cl
• 分子量: 466.029
• InChiKey: AKPGDTJQLUYFMO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.21
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  43.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3-Bis-{[1-(4-dimethylamino-phenyl)-meth-(E)-ylidene]-amino}-2-methyl-3H-imidazol-1-ium; chloride 、 N,N-二甲基甲酰胺二叔丁基缩醛 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 1,3-Bis-{[1-(4-dimethylamino-phenyl)-meth-(E)-ylidene]-amino}-2-((E)-2-dimethylamino-vinyl)-3H-imidazol-1-ium; chloride
  参考文献：
  名称：

  Link, Helmut; Kloetzer, Wilhelm; Karpitschka, Eva Maria, Angewandte Chemie, 1990, vol. 102, # 5, p. 559 - 560

  摘要：

  DOI：

文献信息

• 1,3-disubstituted/imidazolium salts
  申请人：Hoffmann-La Roche Inc.

  公开号：US04956470A1

  公开（公告）日：1990-09-11

  The imidazolium compounds of the formula ##STR1## wherein Q is arylene or heteroarylene, the group --NR.sup.1 R.sup.2 is a basic amino group, R.sup.3 is lower alkylthio, lower alkoxy or the group --(A).sub.n --Ra, R.sup.4 is a saturated or partially unsaturated lower hydrocarbon group, a basic amino group, --N.dbd.CRc--Rb, --CHRcRd, --NH--CHRcRd, --NH--CO--Re or --CHRc--CO--Re, R.sup.5 is hydrogen, lower alkyl, lower hydroxyalkyl, lower alkoxyalkyl, lower haloalkyl, aryl or a fused benzene ring, R.sup.6 is hydrogen or lower alkyl, Ra and Rb independently are aryl, heteroaryl or a basic amino group, Rc is hydrogen or lower alkyl, Rd is aryl or heteroaryl, Re is hydrogen, a saturated or partially unsaturated lower hydrocarbon group optionally attached via an oxygen atom, or an aryl, heteroaryl or basic amino group optionally attached via a lower alkyl group, A is vinylene or lower alkylene, n is the integer 0 or 1, the dotted line is an additional double bond and the symbol Y.sup.- is a pharmaceutically acceptable anion, and their pharmaceutically acceptable acid addition salts, which possess valuable pharmacological properties are described. In particular, they possess antibacterial, antimycotic, protozoacidal and/or anthelmintic properties and are especially active against parasitic protozoa and worms. The compounds of formula I can be prepared according to known methods.

  本文描述了式为##STR1##的咪唑化合物，其中Q为芳基或杂芳基，--NR.sup.1 R.sup.2为碱性氨基，R.sup.3为较低的烷基硫醚，较低的烷氧基或--(A).sub.n --Ra，R.sup.4为饱和或部分不饱和的较低碳氢基团，碱性氨基，--N.dbd.CRc--Rb，--CHRcRd，--NH--CHRcRd，--NH--CO--Re或--CHRc--CO--Re，R.sup.5为氢，较低的烷基，较低的羟基烷基，较低的烷氧基烷基，较低的卤代烷基，芳基或融合苯环，R.sup.6为氢或较低的烷基，Ra和Rb分别为芳基，杂芳基或碱性氨基，Rc为氢或较低的烷基，Rd为芳基或杂芳基，Re为氢，饱和或部分不饱和的较低碳氢基团，可选通过氧原子连接，或芳基，杂芳基或碱性氨基可选通过较低的烷基连接，A为乙烯基或较低的烷基烯，n为整数0或1，点线为额外的双键，符号Y.sup.-为药学上可接受的阴离子，以及它们的药学上可接受的酸加盐，具有有价值的药理学特性。特别是，它们具有抗菌，抗真菌，抗原虫和/或驱虫特性，特别是对寄生原虫和蠕虫特别活跃。式I的化合物可以按照已知方法制备。
• Imidazolium hydrogen carbonates
  申请人：Hoffmann-LaRoche Inc.

  公开号：US04808727A1

  公开（公告）日：1989-02-28

  The pharmaceutically acceptable salts corresponding to the imidazolium hydrogen carbonates of the formula ##STR1## wherein the symbol Q is arylene or heteroarylene, the group --NR.sup.1 R.sup.2 is a basic amino group, R.sup.3 is hydrogen, lower alkyl, lower hydroxyalkyl, lower alkoxyalkyl, lower haloalkyl, lower alkylthio, lower alkoxy or the group --(A).sub.n --Ra, R.sup.4 is a saturated or partially unsaturated lower hydrocarbon group, a basic amino group or the group --N.dbd.CRc--Rb, --CHRcRd, --NH--CHRcRd, --NH--CO--Re or --CHRc--CO--Re, R.sup.5 is hydrogen, lower alkyl, lower hydroxyalkyl, lower alkoxyalkyl, lower haloalkyl, aryl or a fused benzene ring, R.sup.6 is hydrogen or lower alkyl, Ra and Rb each is aryl, heteroaryl or a basic amino group, Rc is hydrogen or lower alkyl, Rd is aryl or heteroaryl, Re is hydrogen, a saturated or partially unsaturated lower hydrocarbon group optionally attached via an oxygen atom or an aryl, heteroaryl or basic amino group optionally attached via a lower alkyl group, A is vinylene or lower alkylene, n is the integer 0 or 1 and the dotted line is an additional double bond, possess valuable antibacterial, antimycotic, protozoocidal and/or anthelmintic properties. The imidazolium bicarbonates of formula I can be used to prepare such pharmaceutically acceptable, especially water-soluble, salts in a simple and inexpensive manner.

  公式I中的咪唑氢碳酸盐对应的药物可接受盐，其中符号Q为芳基或杂芳基，基团--NR.sup.1 R.sup.2为碱性氨基基团，R.sup.3为氢、低烷基、低羟基烷基、低烷氧基烷基、低卤代烷基、低烷硫基、低烷氧基或--(A).sub.n --Ra基团，R.sup.4为饱和或部分不饱和的低碳氢基团、碱性氨基基团或--N.dbd.CRc--Rb、--CHRcRd、--NH--CHRcRd、--NH--CO--Re或--CHRc--CO--Re基团，R.sup.5为氢、低烷基、低羟基烷基、低烷氧基烷基、低卤代烷基、芳基或融合苯环，R.sup.6为氢或低烷基，Ra和Rb各为芳基、杂芳基或碱性氨基基团，Rc为氢或低烷基，Rd为芳基或杂芳基，Re为氢、通过氧原子或低烷基团或芳基、杂芳基或碱性氨基基团可选地连接的饱和或部分不饱和的低碳氢基团，A为乙烯基或低碳烷基，n为整数0或1，虚线为额外的双键，具有有价值的抗菌、抗真菌、原虫杀虫和/或驱虫性能。公式I中的咪唑氢碳酸盐可用于以简单和廉价的方式制备这种药学上可接受的，特别是水溶性的盐。
• Antimicrobial 1,3-disubstituted/imidazolium salts
  申请人：Hoffman-La Roche Inc.

  公开号：US04814332A1

  公开（公告）日：1989-03-21

  The imidazolium compounds of the formula ##STR1## wherein the various substituents are defined hereinbelow and their pharmaceutically acceptable acid addition salts, which possess valuable pharmacological properties are described. In particular, they possess antibacterial, antimycotic, protozoacidal and/or anthelmintic properties and are especially active against parasitic protozoa and worms. The compounds of formula I can be prepared according to known methods.

  本文介绍了公式## STR1 ##中各种取代基定义如下的咪唑化合物及其药学上可接受的酸加成盐，具有有价值的药理学特性。特别地，它们具有抗菌，抗真菌，原虫杀灭和/或驱虫特性，并且对寄生原虫和蠕虫特别活跃。公式I的化合物可以按照已知方法制备。