2-Hydroxy-N-methyl-N-{2-[2-(3-oxazol-5-yl-1H-indol-6-ylamino)-oxazol-5-yl]-phenyl}-acetamide | 593254-70-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Hydroxy-N-methyl-N-{2-[2-(3-oxazol-5-yl-1H-indol-6-ylamino)-oxazol-5-yl]-phenyl}-acetamide
• CAS: 593254-70-7
• 化学式: C₂₃H₁₉N₅O₄
• 分子量: 429.435
• InChiKey: ULNIPYNVLUMYKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  120.42
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-Hydroxy-N-methyl-N-{2-[2-(3-oxazol-5-yl-1H-indol-6-ylamino)-oxazol-5-yl]-phenyl}-acetamide 在 吡啶 作用下， 生成 N-Methyl-2-morpholin-4-yl-N-{2-[2-(3-oxazol-5-yl-1H-indol-6-ylamino)-oxazol-5-yl]-phenyl}-acetamide
  参考文献：
  名称：

  The TosMIC approach to 3-(Oxazol-5-yl) indoles: application to the synthesis of indole-based IMPDH inhibitors

  摘要：

  A modified approach to the synthesis of 3-(oxazolyl-5-yl) indoles is reported. This method was applied to the synthesis of series of novel indole based inhibitors of inosine monophosphate dehydrogenase (IMPDH). The synthesis and the structure-activity relationships (SARs), derived from in vitro studies, for this new series of inhibitors is given. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00748-5
• 作为产物：
  描述：

  3-(1,3-oxazol-5-yl)-1H-indol-6-amine 在 lithium hydroxide 、 三苯基膦 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-Hydroxy-N-methyl-N-{2-[2-(3-oxazol-5-yl-1H-indol-6-ylamino)-oxazol-5-yl]-phenyl}-acetamide
  参考文献：
  名称：

  The TosMIC approach to 3-(Oxazol-5-yl) indoles: application to the synthesis of indole-based IMPDH inhibitors

  摘要：

  A modified approach to the synthesis of 3-(oxazolyl-5-yl) indoles is reported. This method was applied to the synthesis of series of novel indole based inhibitors of inosine monophosphate dehydrogenase (IMPDH). The synthesis and the structure-activity relationships (SARs), derived from in vitro studies, for this new series of inhibitors is given. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00748-5