1-(2-hydroxyethylamino)-9,10-anthraquionone-2-carboxylic acid | 64636-04-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-(2-hydroxyethylamino)-9,10-anthraquionone-2-carboxylic acid
• 英文别名: 1-(2-Hydroxy-ethylamino)-9,10-anthraquinone-2-carboxylic acid；1-(2-hydroxyethylamino)-9,10-dioxoanthracene-2-carboxylic acid
• CAS: 64636-04-0
• 化学式: C₁₇H₁₃NO₅
• 分子量: 311.294
• InChiKey: ODGICKCAIQICIE-UHFFFAOYSA-N

物化性质

• 沸点：
  651.4±55.0 °C(Predicted)
• 密度：
  1.518±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(2-hydroxyethylamino)-9,10-anthraquionone-2-carboxylic acid 在 溶剂黄146 作用下， 生成 1-(2-hydroxyethylamino)-2-piperidinocarbonyl-9,10-anthraquionone
  参考文献：
  名称：

  摘要：

  1-Nitro-9,10-anthraquinone-2-carboxylic acid reacts with 2-aminoethanol to give 1-(2-hydroxyethylamino)-9, 10-anthraquinone-2-carboxylic acid which undergoes intramolecular cyclization to 1,2,3,5,8,13-hexahydroanthra[1,2-e][1,4]oxazepine-5,8,13-trione on heating in acetic acid. Reactions of the cyclization product with amines result in cleavage of the seven-membered heteroring.

  DOI：

  10.1023/a:1013115217750
• 作为产物：
  描述：

  1-硝基-2-羧酸蒽醌 、 C.I.酸性橙108 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以91%的产率得到1-(2-hydroxyethylamino)-9,10-anthraquionone-2-carboxylic acid
  参考文献：
  名称：

  摘要：

  1-Nitro-9,10-anthraquinone-2-carboxylic acid reacts with 2-aminoethanol to give 1-(2-hydroxyethylamino)-9, 10-anthraquinone-2-carboxylic acid which undergoes intramolecular cyclization to 1,2,3,5,8,13-hexahydroanthra[1,2-e][1,4]oxazepine-5,8,13-trione on heating in acetic acid. Reactions of the cyclization product with amines result in cleavage of the seven-membered heteroring.

  DOI：

  10.1023/a:1013115217750

文献信息

• SCREENING METHODS FOR AMYLOID BETA MODULATORS
  申请人：Slon-Usakiewicz Jacek

  公开号：US20110028719A1

  公开（公告）日：2011-02-03

  The present invention relates to methods for screening, identifying, and/or quantifying modulators of amyloid and/or aggregates, fibrils or components thereof, in particular modulators of amyloid β-peptide (Aβ) or Aβ fibrils. Aspects of the invention provide methods for screening putative modulators against an Amyloid target, in particular an Aβ target, so as to determine which modulators bind to or interact with the target, or interfere with the interaction of an indicator agent and the target. Particular aspects of the invention employ mass spectrometric methods for the screening of an Amyloid target against compound libraries, in particular mixtures of compounds or combinatorial libraries.