2-(2-ethyl-3-(o-phenylbenzyl)-8-(2-oxopropoxy)indolizin-1-yl)-2-oxo-N-methylacetamide | 1048660-59-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-ethyl-3-(o-phenylbenzyl)-8-(2-oxopropoxy)indolizin-1-yl)-2-oxo-N-methylacetamide
• 英文别名: 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-N-methyl-2-oxoacetamide
• CAS: 1048660-59-8
• 化学式: C₂₉H₂₈N₂O₄
• 分子量: 468.552
• InChiKey: XGQQSTSFOSVKOV-UHFFFAOYSA-N

物化性质

• 密度：
  1.18±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  76.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-hydroxy-2-(1-(2-N-methylamino-2-oxoacetyl)-2-(ethyl-3-(o-phenylbenzyl))indolizin-8-yloxy)acetate 、 溴丙酮 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以2.9 mg的产率得到2-(2-ethyl-3-(o-phenylbenzyl)-8-(2-oxopropoxy)indolizin-1-yl)-2-oxo-N-methylacetamide
  参考文献：
  名称：

  Highly Specific and Broadly Potent Inhibitors of Mammalian Secreted Phospholipases A₂

  摘要：

  We report a series of inhibitors of secreted phospholipases A(2) (sPLA(2)S) based on substituted indoles, 6,7-benzoindoles, and indolizines derived from LY315920, a well-known indole-based sPLA(2) inhibitor. Using the human group X sPLA2 crystal structure, we prepared a highly potent and selective indole-based inhibitor of this enzyme. Also, we report human and mouse group IIA and HE specific inhibitors and a substituted 6,7-benzoindole that inhibits nearly all human and mouse sPLAs in the low nanomolar range.

  DOI：

  10.1021/jm800422v

文献信息

• Highly Specific and Broadly Potent Inhibitors of Mammalian Secreted Phospholipases A₂
  作者：Rob C. Oslund、Nathan Cermak、Michael H. Gelb

  DOI：10.1021/jm800422v

  日期：2008.8.1

  We report a series of inhibitors of secreted phospholipases A(2) (sPLA(2)S) based on substituted indoles, 6,7-benzoindoles, and indolizines derived from LY315920, a well-known indole-based sPLA(2) inhibitor. Using the human group X sPLA2 crystal structure, we prepared a highly potent and selective indole-based inhibitor of this enzyme. Also, we report human and mouse group IIA and HE specific inhibitors and a substituted 6,7-benzoindole that inhibits nearly all human and mouse sPLAs in the low nanomolar range.