N-(2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-N'-phenyl-oxalamide | 61206-72-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-N'-phenyl-oxalamide
• 英文别名: N-(2-Hydroxy-1,1-bis-hydroxymethyl-aethyl)-N'-phenyl-oxalamid；N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-N'-phenylethanediamide；N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-phenyloxamide
• CAS: 61206-72-2
• 化学式: C₁₂H₁₆N₂O₅
• mdl: MFCD02615289
• 分子量: 268.269
• InChiKey: PIKDFMNTFHZUOO-UHFFFAOYSA-N

物化性质

• 熔点：
  174.5-177 °C
• 密度：
  1.434±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  119
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  草酸乙酯 、 三羟甲基氨基甲烷 在 乙醇 作用下， 生成 N-(2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-N'-phenyl-oxalamide
  参考文献：
  名称：

  Tris-(hydroxymethyl)-aminomethane Derivatives. III. Oxamides, Ureas, Oxazolidines and 1-Aza-3,7-dioxabicyclo(3.3.0)octanes¹

  摘要：

  DOI：

  10.1021/ja01150a049

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.
• Tris-(hydroxymethyl)-aminomethane Derivatives. III. Oxamides, Ureas, Oxazolidines and 1-Aza-3,7-dioxabicyclo(3.3.0)octanes¹
  作者：J. Stanton Pierce、Carl D. Lunsford、R. W. Raiford、J. L. Rush、Douglas W. Riley

  DOI：10.1021/ja01150a049

  日期：1951.6