3-[(2Z)-2-[(2Z,4E)-3-bromo-5-[3,3-dimethyl-1-[3-(trimethylazaniumyl)propyl]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]propyl-trimethylazanium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-[(2Z)-2-[(2Z,4E)-3-bromo-5-[3,3-dimethyl-1-[3-(trimethylazaniumyl)propyl]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]propyl-trimethylazanium
• 化学式: C37H54BrN4+3
• 分子量: 634.8
• InChiKey: BKJZDNOIHUGHMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  6.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Carbocyanines for G-Quadruplex DNA Stabilization and Telomerase Inhibition
  申请人：Henary Maged

  公开号：US20140142147A1

  公开（公告）日：2014-05-22

  Cyanines which selectively bind to G-quadruplex DNA complexes, particularly quadruplexes expressed in cancer cells, and methods of making and using thereof are described herein. The cyanine can be a symmetrical or unsymmetrical streptocyanine, hemicyanine, closed chain cyanine, or combinations thereof. The cyanine is preferably substituted with one or more groups that minimize or prevent aggregation of the cyanine and/or inhibit binding of the cyanine to duplex DNA. One or more of the cyanines can be formulated with one or more pharmaceutical excipients and/or carrier to prepare pharmaceutical compositions suitable for administration to a patient, particular a human patient. The compounds and compositions described herein can be used to treat diseases or disorders characterized by the expression of G-quadruplex DNA, such as cancer.

  本文描述了选择性结合到G-四链体DNA复合物的青菁类化合物，特别是在癌细胞中表达的四链体，以及其制备和使用方法。该青菁类化合物可以是对称或非对称的链青菁、半青菁、闭环青菁，或其组合。该青菁类化合物最好被取代为一个或多个基团，以最小化或防止青菁类化合物的聚集和/或抑制其与双链DNA的结合。其中一个或多个青菁类化合物可以与一个或多个药用辅料和/或载体配制，以制备适合用于患者，特别是人类患者的药物组合物。本文描述的化合物和组合物可用于治疗由G-四链体DNA表达特征的疾病或紊乱，如癌症。
• MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：Takada Saki

  公开号：US20120181528A1

  公开（公告）日：2012-07-19

  A material for an organic electroluminescence device containing at least phosphorescent metal complex A and phosphorescent metal complex B, metal complex A and metal complex B are both organic metal complexes containing a metal having an atomic weight of 40 or more and a ligand, metal complex A has a specific structure, and metal complex B has the same structure with metal complex A except that one or more atoms directly bonding to ligand structures are substituted with atoms belonging to the same group of the atoms and having a greater atomic weight, and ratio of the content of metal complex B to the content of metal complex A is 0.005% by mass or more and 2% by mass or less.
• NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF
  申请人：BETH ISRAEL DEACONESS MEDICAL CENTER

  公开号：US20160263249A1

  公开（公告）日：2016-09-15

  The instant invention provides near-infrared fluorescent biological contrast agents and methods of using them.