1,3-Bis-{[1-(4-dimethylamino-phenyl)-meth-(E)-ylidene]-amino}-2-[(E)-2-(4-dimethylamino-phenyl)-vinyl]-3H-imidazol-1-ium; chloride | 126135-24-8

• 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: 1,3-Bis-{[1-(4-dimethylamino-phenyl)-meth-(E)-ylidene]-amino}-2-[(E)-2-(4-dimethylamino-phenyl)-vinyl]-3H-imidazol-1-ium; chloride
• 英文别名: 1,3-Bis[[p-(dimethyl-amino)benzylidene]amino]-2-[p-(dimethylamino)styryl]imidazolium chloride；4-[2-[1,3-bis[[4-(dimethylamino)phenyl]methylideneamino]imidazol-1-ium-2-yl]ethenyl]-N,N-dimethylaniline;chloride
• CAS: 126135-24-8
• 化学式: C₃₁H₃₆N₇*Cl
• 分子量: 542.127
• InChiKey: LMCQXJOAJKWBQC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.91
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 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 、 对二甲氨基苯甲醛 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以89%的产率得到1,3-Bis-{[1-(4-dimethylamino-phenyl)-meth-(E)-ylidene]-amino}-2-[(E)-2-(4-dimethylamino-phenyl)-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。
• 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。
• Link, Helmut; Kloetzer, Wilhelm; Karpitschka, Eva Maria, Angewandte Chemie, 1990, vol. 102, # 5, p. 559 - 560
  作者：Link, Helmut、Kloetzer, Wilhelm、Karpitschka, Eva Maria、Montavon, Marc、Muessner, Renate、Singewald, Nicolas

  DOI：——

  日期：——