2-(1-benzyl-2-ethyl-4-methoxy-1H-6,7-benzoindol-3-yl)-2-oxoacetamide | 1048660-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-(1-benzyl-2-ethyl-4-methoxy-1H-6,7-benzoindol-3-yl)-2-oxoacetamide
• 英文别名: 2-(2-Ethyl-3-(o-phenylbenzyl)-8-(2-oxopropoxy)indolizin-1-yl)-2-oxoacetamide；2-(1-benzyl-2-ethyl-4-methoxybenzo[g]indol-3-yl)-2-oxoacetamide
• CAS: 1048660-54-3
• 化学式: C₂₄H₂₂N₂O₃
• 分子量: 386.45
• InChiKey: WDLASCVQCDWEOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  74.3
• 氢给体数：
  1
• 氢受体数：
  3

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 0.08h， 以3.3 mg的产率得到2-(1-benzyl-2-ethyl-4-methoxy-1H-6,7-benzoindol-3-yl)-2-oxoacetamide
  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

• SECRETED PHOSPHOLIPASE A2 BIOMARKERS FOR ARTHRITIS
  申请人：Lee David M.

  公开号：US20120122117A1

  公开（公告）日：2012-05-17

  The present invention relates to the use of protein expression profiles of sPLA2 isoforms with clinical relevance to osteoarthritis (OA). In particular, the invention provides methods for diagnosing OA or determining risk factors for development of OA based on expression of sPLA2-IIA.
• US8372594B2
  申请人：——

  公开号：US8372594B2

  公开（公告）日：2013-02-12
• [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.