[5-(4-Fluoro-benzyloxy)-3-hydroxy-benzofuran-2-yl]-2-oxo-acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: [5-(4-Fluoro-benzyloxy)-3-hydroxy-benzofuran-2-yl]-2-oxo-acetic acid
• 英文别名: 2-[5-[(4-Fluorophenyl)methoxy]-3-hydroxy-benzofuran-2-yl]-2-oxo-acetic acid；2-[5-[(4-fluorophenyl)methoxy]-3-hydroxy-1-benzofuran-2-yl]-2-oxoacetic acid
• 化学式: C₁₇H₁₁FO₆
• 分子量: 330.269
• InChiKey: CCQGHFYBCVBNFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  97
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Inhibitor for enzyme having two divalent metal ions as active centers
  申请人：——

  公开号：US20040039060A1

  公开（公告）日：2004-02-26

  A pharmaceutical composition for use as an inhibitor of an enzyme having two divalent metal ions as an active center was found. It is possible to inhibit the activity of an enzyme by a compound capable of chelating both of the two divalent metal ions.

  发现了一种用作酶抑制剂的药物组合物，该酶具有两个二价金属离子作为活性中心。能够通过一种化合物来螯合这两个二价金属离子，从而抑制酶活性。
• Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor
  申请人：Miyazaki Susumu

  公开号：US20080161311A1

  公开（公告）日：2008-07-03

  The present invention relates to a nitrogen-containing fused ring compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof, and an anti-HIV agent containing such compound. The compound of the present invention has an HIV integrase inhibitory activity, and is useful as an agent for the prophylaxis or treatment of AIDS, or as an anti-HIV agent. In addition, by the combined use with other anti-HIV agents such as a protease inhibitor, a reverse transcriptase inhibitor and the like, it can be a more effective anti-HIV agent. Because it shows integrase-specific high inhibitory activity, the compound can be a pharmaceutical agent safe on human body, which causes only a fewer side effects.

  本发明涉及一种含氮融合环化合物，其化学式如下[I]，其中每个符号如规范中定义，或其药学上可接受的盐，以及含有该化合物的抗HIV剂。本发明的化合物具有HIV整合酶抑制活性，可用作艾滋病的预防或治疗剂，或作为抗HIV剂。此外，与其他抗HIV剂如蛋白酶抑制剂、反转录酶抑制剂等联合使用，可成为更有效的抗HIV剂。由于它表现出整合酶特异性高的抑制活性，该化合物可成为一种对人体安全的药物，仅引起较少的副作用。
• Inhibitor for enzyme having two divalent metal ions as active center
  申请人：Kiyama Ryuichi

  公开号：US20100068695A1

  公开（公告）日：2010-03-18

  A pharmaceutical composition for use as an inhibitor of an enzyme having two divalent metal ions as an active center was found. It is possible to inhibit the activity of an enzyme by a compound capable of chelating both of the two divalent metal ions.

  发现了一种用作酶抑制剂的药物组合物，该酶具有两个二价金属离子作为活性中心。通过化合物能够螯合这两个二价金属离子中的任意一个或两个，从而抑制酶的活性。
• INHIBITOR FOR ENZYME HAVING TWO DIVALENT METAL IONS AS ACTIVE CENTERS
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1297834A1

  公开（公告）日：2003-04-02

  A pharmaceutical composition for use as an inhibitor of an enzyme having two divalent metal ions as an active center was found. It is possible to inhibit the activity of an enzyme by a compound capable of chelating both of the two divalent metal ions.

  发现了一种用作具有两个二价金属离子作为活性中心的酶的抑制剂的药物组合物。 能够螯合两种二价金属离子的化合物可以抑制酶的活性。
• US7211572B2
  申请人：——

  公开号：US7211572B2

  公开（公告）日：2007-05-01