1-羟基-5,8-二(2-((2-羟基乙基)氨基)乙胺)-9,10-蒽二酮 | 80189-44-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 1-羟基-5,8-二(2-((2-羟基乙基)氨基)乙胺)-9,10-蒽二酮
• 中文别名: (3R,4R,5R,6R)-3,4,5-三羟基-6-(吡啶-3-碳氧基)四氢吡喃-2-羧酸；米托蒽醌杂质B
• 英文名称: 1-hydroxy-5,8-bis<<2-(2-hydroxyethyl)amino>ethyl>amino-9,10-anthracenedione
• 英文别名: mitoxantrone；1-hydroxy-5,8-bis[[2-(2-hydroxyethyl)amino]ethyl]amino-9,10-anthracenedione；1-Hydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione；5-hydroxy-1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
• CAS: 80189-44-2
• 化学式: C₂₂H₂₈N₄O₅
• 分子量: 428.488
• InChiKey: KWAZOPYMFGJFGI-UHFFFAOYSA-N

物化性质

• 沸点：
  756.7±60.0 °C(Predicted)
• 密度：
  1.390±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  143
• 氢给体数：
  7
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  羟乙基乙二胺 、 1,4,5-trihydroxy-2,3-dihydroanthraquinone 在 air 作用下， 生成 1-羟基-5,8-二(2-((2-羟基乙基)氨基)乙胺)-9,10-蒽二酮
  参考文献：
  名称：

  Antiproliferative Activity of Doxorubicin and Aminoanthraquinone Derivatives on Chinese Hamster Ovary Cells

  摘要：

  A study of the antiproliferative activity of doxorubicin and several substituted aminoanthraquinone derivatives on Chinese hamster ovary cells was conducted. Doxorubicin and a derivative each inhibited cell proliferation at low concentrations, the latter being more potent than doxorubicin. A structure-activity relationship of these compounds is discussed in connection with an earlier postulated N-O-O triangulation hypothesis.

  DOI：

  10.1002/jps.2600700911

文献信息

• COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM
  申请人：Oystershell NV

  公开号：EP1796656A2

  公开（公告）日：2007-06-20
• Composition for Inhibiting or Preventing the Formation of a Biofilm
  申请人：Rossel Bart

  公开号：US20070258913A1

  公开（公告）日：2007-11-08

  Compounds for inhibiting and/or preventing the formation of a biofilm are disclosed. The compounds are an anthraquinone and/or a naphtoquinone, stereoisomeric forms, racemic mixtures, metabolites, esters or salts thereof, or mixtures thereof, and/or at least one plant extract including the compound or active fraction thereof. Compositions containing the compounds such as oral health products and methods of using the products in a method to prevent or inhibit biofilm formation are also disclosed. Preferred compositions include emodin and/or plant extracts from Rheum sp.
• US7691418B2
  申请人：——

  公开号：US7691418B2

  公开（公告）日：2010-04-06
• [EN] COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM<br/>[FR] COMPOSITION PERMETTANT DE BLOQUER OU D'EMPECHER LA FORMATION D'UN FILM BIOLOGIQUE
  申请人：OYSTERSHELL NV

  公开号：WO2006029893A2

  公开（公告）日：2006-03-23

  The present invention provides the use of a compound selected from the group comprising an anthraquinone and a naphtoquinone, stereoisomeric forms, racemic mixtures, metabolites, esters or salts thereof, or mixtures thereof, and/or of at least one plant extract or active fraction thereof comprising said compound for preventing and/or inhibiting biofilm formation. The present invention further relates to compositions for preventing and/or inhibiting the formation of a biofilm, oral health products and a method for preventing and/or inhibiting biofilm formation.
• Antiproliferative Activity of Doxorubicin and Aminoanthraquinone Derivatives on Chinese Hamster Ovary Cells
  作者：Edwin M. Uyeki、Akira Nishio、Philip J. Wittek、C.C. Cheng

  DOI：10.1002/jps.2600700911

  日期：1981.9

  A study of the antiproliferative activity of doxorubicin and several substituted aminoanthraquinone derivatives on Chinese hamster ovary cells was conducted. Doxorubicin and a derivative each inhibited cell proliferation at low concentrations, the latter being more potent than doxorubicin. A structure-activity relationship of these compounds is discussed in connection with an earlier postulated N-O-O triangulation hypothesis.