8-methoxy-2-(1-(2-amino-2-oxoacetyl)-2-(ethyl-3-(o-phenylbenzyl))indolizin-8-yloxy)acetate | 1048660-63-4

• 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: 8-methoxy-2-(1-(2-amino-2-oxoacetyl)-2-(ethyl-3-(o-phenylbenzyl))indolizin-8-yloxy)acetate
• 英文别名: 2-(3-Biphenyl-2-ylmethyl-2-ethyl-8-methoxy-indolizin-1-yl)-2-oxo-acetamide；2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
• CAS: 1048660-63-4
• 化学式: C₂₆H₂₄N₂O₃
• 分子量: 412.488
• InChiKey: BZPQHOAILMRKES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  73.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  溴甲烷 、 8-hydroxy-2-(1-(2-amino-2-oxoacetyl)-2-(ethyl-3-(o-phenylbenzyl))indolizin-8-yloxy)acetatate 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以5.56 mg的产率得到8-methoxy-2-(1-(2-amino-2-oxoacetyl)-2-(ethyl-3-(o-phenylbenzyl))indolizin-8-yloxy)acetate
  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

• sPLA2 INHIBITORS FOR ARTERIOSCLEROSIS
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1378246B1

  公开（公告）日：2009-04-15
• [EN] METHODS FOR TREATING ARTHRITIS AND OTHER INFLAMMATORY OR AUTOIMMUNE DISEASES<br/>[FR] PROCÉDÉS POUR TRAITER L'ARTHRITE, ET D'AUTRES MALADIES INFLAMMATOIRES OU AUTO-IMMUNES
  申请人：BRIGHAM & WOMENS HOSPITAL

  公开号：WO2010009403A2

  公开（公告）日：2010-01-21

  Methods and compositions for treating arthritis and other disorders are provided herein. Methods can include administering secretory phospholipase A2 Group V (sPLA2-V) protein or a variant thereof.