1,3-bis-[2-oxo-2-(4-chlorophenyl)ethyl]imidazolium bromide | 134071-12-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-bis-[2-oxo-2-(4-chlorophenyl)ethyl]imidazolium bromide
• 英文别名: 1-(4-Chlorophenyl)-2-[3-[2-(4-chlorophenyl)-2-oxoethyl]imidazol-3-ium-1-yl]ethanone;bromide
• CAS: 134071-12-8
• 化学式: Br*C₁₉H₁₅Cl₂N₂O₂
• 分子量: 454.15
• InChiKey: CTXIHMNQBUNOHW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  43
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2'-溴-4-氯苯乙酮 、 咪唑 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以13%的产率得到1,3-bis-[2-oxo-2-(4-chlorophenyl)ethyl]imidazolium bromide
  参考文献：
  名称：

  TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF

  摘要：

  本公开涉及某些新的和已知的三唑和/或咪唑盐及其治疗用途，例如在治疗或预防受需要的主体中由Plasmodium或Babesia寄生虫引起的感染的方法中。三唑和咪唑盐是以下化合物的化合物：其中R1-R4，R1′-R3′，R8-R11，X，X′，X″，Y，Y′和Y″如本公开所定义。

  公开号：

  US20110257235A1

文献信息

• Method and composition for rejuvinating cells, tissues organs, hair and nails
  申请人：——

  公开号：US20020188015A1

  公开（公告）日：2002-12-12

  In one embodiment, the present invention relates to compounds and compositions including pharmaceutical compositions containing the compounds and associated methods that uncouple sugar-mediated coupling of proteins, lipids, nucleic acids, and other biomaterials, and any combination thereof. In another embodiment, the compositions and associated methods have utility in vivo to reduce the deleterious effects of sugar-mediated coupling processes in an organism, when the organism is exposed to the compound or composition internally, by ingestion, transdermal application, or other means. In yet another embodiment, the compositions and associated methods are useful for the ex-vivo treatment of organs, cells and tissues and external treatment of hair, nails and skin to rejuvenate them by changing deformability and increase the tissue diffusion coefficient. In a further embodiment, the present invention relates to novel compounds and pharmaceutical compositions.

  在一个实施例中，本发明涉及包含药物组合物的化合物和组合物，其中药物组合物包含这些化合物，并且相关方法解耦蛋白质、脂质、核酸和其他生物材料以及它们的任意组合的糖介导偶联。在另一个实施例中，这些组合物和相关方法在体内具有实用性，用于减少生物体暴露于内部摄入、经皮应用或其他方式的化合物或组合物时，糖介导偶联过程的有害影响。在另一个实施例中，这些组合物和相关方法对器官、细胞和组织的离体处理以及头发、指甲和皮肤的外部处理具有用处，通过改变可变性和增加组织扩散系数来使它们恢复活力。在另一个实施例中，本发明涉及新颖的化合物和药物组合物。
• Anti-Plasmodium activity of imidazolium and triazolium salts
  作者：Jason Z. Vlahakis、Carmen Lazar、Ian E. Crandall、Walter A. Szarek

  DOI：10.1016/j.bmc.2010.05.020

  日期：2010.8

  We have previously reported that tetrazolium salts were both potent and specific inhibitors of Plasmodium replication, and that they appear to interact with a parasite component that is both essential and conserved. The use of tetrazolium salts in vivo is limited by the potential reduction of the tetrazolium ring to form an inactive, neutral acyclic formazan. To address this issue imidazolium and triazolium salts were synthesized and evaluated as Plasmodium inhibitors. Many of the imidazolium and triazolium salts were highly potent with active concentrations in the nanomolar range in Plasmodium falciparum cultures, and specific to Plasmodium with highly favorable therapeutic ratios. The results corroborate our hypothesis that an electron-deficient core is required so that the compound may thereby interact with a negatively charged moiety on the parasite merozoite; the side groups in the compound then form favorable interactions with adjacent parasite components and thereby determine both the potency and selectivity of the compound. (C) 2010 Elsevier Ltd. All rights reserved.
• Chapman, David R.; Bauer, Ludwig, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 7, p. 2053 - 2061
  作者：Chapman, David R.、Bauer, Ludwig

  DOI：——

  日期：——
• CHAPMAN, DAVID R.;BAUER, LUDWIG, J. HETEROCYCL. CHEM., 27,(1990) N, C. 2053-2061
  作者：CHAPMAN, DAVID R.、BAUER, LUDWIG

  DOI：——

  日期：——
• US6777557B2
  申请人：——

  公开号：US6777557B2

  公开（公告）日：2004-08-17