(S)-1-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-2-(4-hydroxy-benzyl)-4-(3aR,7aS)-octahydro-isoindol-2-yl-butane-1,4-dione | 312689-81-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (S)-1-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-2-(4-hydroxy-benzyl)-4-(3aR,7aS)-octahydro-isoindol-2-yl-butane-1,4-dione
• CAS: 312689-81-9
• 化学式: C₂₉H₃₄N₂O₅
• 分子量: 490.599
• InChiKey: OGCWCLIZWDQSLN-FQUZAXHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  87.15
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (S)-1-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-2-(4-hydroxy-benzyl)-4-(3aR,7aS)-octahydro-isoindol-2-yl-butane-1,4-dione 在 过氧化氢,锂盐(1:1) 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-2-{4-[2-(5-Ethyl-pyridin-2-yl)-ethoxy]-benzyl}-4-(3aR,7aS)-octahydro-isoindol-2-yl-4-oxo-butyric acid
  参考文献：
  名称：

  Hybridization of non-sulfonylurea insulin secretagogue and thiazolidinedione-derived insulin sensitizer

  摘要：

  Hybrid compounds of non-sulfonylurea insulinotropic agents and thiazolidinedione-derived insulin-sensitizing agents were designed and synthesized. The benzylidenesuccinic acid derivative 24 was equal both to nateglinide in potency of insulin-releasing activity and to pioglitazone in insulin-sensitizing activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00491-1
• 作为产物：
  描述：

  (4R)-4-benzyl-3-[3'-(4''-benzyloxyphenyl)propionyl]-1,3-oxazolidin-2-one 在 palladium on activated charcoal 氢气 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三氟乙酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-1-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-2-(4-hydroxy-benzyl)-4-(3aR,7aS)-octahydro-isoindol-2-yl-butane-1,4-dione
  参考文献：
  名称：

  Hybridization of non-sulfonylurea insulin secretagogue and thiazolidinedione-derived insulin sensitizer

  摘要：

  Hybrid compounds of non-sulfonylurea insulinotropic agents and thiazolidinedione-derived insulin-sensitizing agents were designed and synthesized. The benzylidenesuccinic acid derivative 24 was equal both to nateglinide in potency of insulin-releasing activity and to pioglitazone in insulin-sensitizing activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00491-1