1-[2-(2-(2-Methoxyethoxy)-ethoxy)-ethoxy-carbonyloxymethyl]-4-[N'-cyano-N''-(6-(4-chlorophenoxy)-hexyl)-N-guanidino]-pyridinium iodide | 432037-53-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[2-(2-(2-Methoxyethoxy)-ethoxy)-ethoxy-carbonyloxymethyl]-4-[N'-cyano-N''-(6-(4-chlorophenoxy)-hexyl)-N-guanidino]-pyridinium iodide
• 英文别名: 1-[2-(2-(2-Methoxyethoxy)-ethoxy)-ethoxy-carbonyloxymethyl]-4-[N'-cyano-N"-(6-(4-chlorophenoxy)-hexyl)-N-guanidino]-pyridinium iodide；[4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate;iodide
• CAS: 432037-53-1
• 化学式: C₂₈H₃₉ClN₅O₇*I
• 分子量: 720.004
• InChiKey: FDXDUQDZUFZTIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  42
• 可旋转键数：
  24
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  chloromethyl 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate 在 sodium iodide 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 2.83h， 生成 1-[2-(2-(2-Methoxyethoxy)-ethoxy)-ethoxy-carbonyloxymethyl]-4-[N'-cyano-N''-(6-(4-chlorophenoxy)-hexyl)-N-guanidino]-pyridinium iodide
  参考文献：
  名称：

  Cyanoguanidine prodrugs

  摘要：

  公开号：

  EP2894149B1

文献信息

• CYANOGUANIDINE PRODRUGS
  申请人：LEO PHARMA A/S

  公开号：EP1339686B1

  公开（公告）日：2015-09-16
• Compositions and Methods for Effecting NAD+ Levels Using A Nicotinamide Phosphoribosyl Tranferase Inhibitor
  申请人：Roulston Anne

  公开号：US20090162454A1

  公开（公告）日：2009-06-25

  The present invention relates to methods for decreasing cellular DNA repair in a target patient; decreasing cellular NAD + biosynthesis in a target patient; increasing efficiency of radiation therapy in a target patient; modulating nicotinamide phosphoribosyl transferase activity in a patient; or sensitizing a patient to a DNA damaging therapy. The invention relates to methods for treating a patient who received a toxic dose of an nicotinamide phosphoribosyl transferase inhibitor. The invention also relates to pharmaceutical compositions comprising a physiologically acceptable carrier; an effective amount of a NMPRT inhibitor; and nicotinic acid. The invention also relates to methods for treating a patient diagnosed with or suspected to have a cancer deficient in nicotinic acid pathway.
• COMPOSITIONS AND METHODS FOR EFFECTING NAD+ LEVELS USING A NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE INHIBITOR
  申请人：Roulston Anne

  公开号：US20090215823A1

  公开（公告）日：2009-08-27

  The present invention relates to methods for decreasing cellular DNA repair in a patient diagnosed with or suspected to have chronic lymphocytic leukemia (CLL); decreasing cellular NAD + biosynthesis in a patient diagnosed with or suspected to have CLL; or sensitizing a patient diagnosed with or suspected to have CLL to a DNA damaging therapy. The invention relates to methods for treating a patient diagnosed with or suspected to have CLL.
• US6525077B2
  申请人：——

  公开号：US6525077B2

  公开（公告）日：2003-02-25
• US8173677B2
  申请人：——

  公开号：US8173677B2

  公开（公告）日：2012-05-08