benzenesulfonyl-2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yloxy)acetamide

• 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: benzenesulfonyl-2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yloxy)acetamide
• 英文别名: 2-[4-[2-(benzenesulfonamido)-2-oxoethoxy]-1-benzyl-2-ethylindol-3-yl]-2-oxoacetamide
• 化学式: C₂₇H₂₅N₃O₆S
• 分子量: 519.578
• InChiKey: FLHCENWREGCSHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 氨 作用下， 以 二氯甲烷 为溶剂， 反应 0.1h， 以0.630 mg的产率得到benzenesulfonyl-2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yloxy)acetamide
  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

• Pharmaceutical composition for treating arteriosclerosis
  申请人：Shionogi & Co., Ltd.

  公开号：EP2044958A2

  公开（公告）日：2009-04-08

  A pharmaceutical composition comprising a group V or X sPLA2-inhibiting compound represented by general formula (I) : wherein ring A is: -B- is a group of (e)-(h): for use in suppressing degeneration of serum lipoproteins and/or treating or preventing arteriosclerosis and/or treating or preventing an ischemic disease based on arteriosclerosis.

  一种药物组合物，包含通式(I)代表的第 V 或 X 组 sPLA2 抑制化合物： 其中 环 A 是 -B-是(e)-(h)的基团： 用于抑制血清脂蛋白变性和/或治疗或预防动脉硬化和/或治疗或预防基于动脉硬化的缺血性疾病。
• sPLA2 INHIBITORS FOR ARTERIOSCLEROSIS
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1378246B1

  公开（公告）日：2009-04-15
• 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.