2-Ethoxy-3-{3-methoxy-4-[2-(6-oxo-5,6-dihydro-4-oxa-1-thia-7-aza-inden-7-yl)-ethoxy]-phenyl}-propionic acid ethyl ester | 544478-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-Ethoxy-3-{3-methoxy-4-[2-(6-oxo-5,6-dihydro-4-oxa-1-thia-7-aza-inden-7-yl)-ethoxy]-phenyl}-propionic acid ethyl ester
• CAS: 544478-59-3
• 化学式: C₂₂H₂₇NO₇S
• 分子量: 449.525
• InChiKey: XQMIVVXKSZUQBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  31.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  83.53
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-Ethoxy-3-{3-methoxy-4-[2-(6-oxo-5,6-dihydro-4-oxa-1-thia-7-aza-inden-7-yl)-ethoxy]-phenyl}-propionic acid ethyl ester 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 2-Ethoxy-3-{3-methoxy-4-[2-(6-oxo-5,6-dihydro-4-oxa-1-thia-7-aza-inden-7-yl)-ethoxy]-phenyl}-propionic acid
  参考文献：
  名称：

  Novel thieno oxazine analogues as antihyperglycemic and lipid modulating agents

  摘要：

  A series of phenyl acetic acid and alpha-hydroxy propionic acid derivatives were synthesized. In vivo studies of the compounds indicated compound 2c as the most potent in one of the series, which has both glucose and lipid lowering properties. The syntheses and biological studies have been discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00976-9
• 作为产物：
  描述：

  4-苄氧基-3-甲氧基苯甲醛 在 palladium on activated charcoal 氢气 、 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 20.0 ℃ 、413.68 kPa 条件下， 反应 120.0h， 生成 2-Ethoxy-3-{3-methoxy-4-[2-(6-oxo-5,6-dihydro-4-oxa-1-thia-7-aza-inden-7-yl)-ethoxy]-phenyl}-propionic acid ethyl ester
  参考文献：
  名称：

  Novel thieno oxazine analogues as antihyperglycemic and lipid modulating agents

  摘要：

  A series of phenyl acetic acid and alpha-hydroxy propionic acid derivatives were synthesized. In vivo studies of the compounds indicated compound 2c as the most potent in one of the series, which has both glucose and lipid lowering properties. The syntheses and biological studies have been discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00976-9