1-(4-Chlorobenzoyl)-3-[4-(4-fluorophenyl)thiazol-2-ylmethyl]-5-methoxy-2-methylindole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-(4-Chlorobenzoyl)-3-[4-(4-fluorophenyl)thiazol-2-ylmethyl]-5-methoxy-2-methylindole
• 英文别名: (4-Chloro-phenyl)-{3-[4-(4-fluoro-phenyl)-thiazol-2-ylmethyl]-5-methoxy-2-methyl-indol-1-yl}-methanone；(4-chlorophenyl)-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-5-methoxy-2-methylindol-1-yl]methanone
• 化学式: C₂₇H₂₀ClFN₂O₂S
• 分子量: 490.985
• InChiKey: GXVWQLFNVDVNAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  72.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  吲哚美辛 在 tetraphosphorus decasulfide 、 氨 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 24.0h， 生成 1-(4-Chlorobenzoyl)-3-[4-(4-fluorophenyl)thiazol-2-ylmethyl]-5-methoxy-2-methylindole
  参考文献：
  名称：

  Thiazole analogues of the NSAID indomethacin as selective COX-2 Inhibitors

  摘要：

  The carboxyl group of the NSAID indomethacin was replaced with a variety of substituted thiazoles to obtain a series of potent, selective inhibitors of COX-2. Additional substitutions were made at the 1-position and 5-position of the indole of indomethacin. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00212-8

文献信息

• Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents
  申请人：——

  公开号：US20030225054A1

  公开（公告）日：2003-12-04

  This invention relates to a method of treating inflammatory diseases in a mammal comprising administering to the mammal a therapeutically effective amount of a combination of: (i) at least one TACE inhibitor of Formula (I), (II), (III), or (IV) of the present invention or a stereoisomer or pharmaceutically acceptable salt form thereof, (ii) one or more anti-inflammatory agents selected from the group consisting of: selective COX-2 inhibitors, interleukin-1 antagonists, dihydroorotate synthase inhibitors, p38 MAP kinase inhibitors, TNF-&agr; inhibitors, TNF-&agr; sequestration agents, and methotrexate. The invention also relates to compositions and kits containing the same.

  本发明涉及一种治疗哺乳动物炎症性疾病的方法，该方法包括向哺乳动物施用治疗有效量的以下物质的组合：(i)至少一种本发明式(I)、(II)、(III)或(IV)的TACE抑制剂或其立体异构体或药学上可接受的盐形式，(ii)一种或多种选自由以下组成的组的抗炎剂：选择性 COX-2 抑制剂、白细胞介素-1 拮抗剂、二氢烟酸合成酶抑制剂、p38 MAP 激酶抑制剂、TNF-&agr; 抑制剂、TNF-&agr; 封闭剂和甲氨蝶呤。本发明还涉及含有上述成分的组合物和试剂盒。
• US5811425A
  申请人：——

  公开号：US5811425A

  公开（公告）日：1998-09-22
• Thiazole analogues of the NSAID indomethacin as selective COX-2 Inhibitors
  作者：Keith W. Woods、Richard W. McCroskey、Michael R. Michaelides、Carol K. Wada、Keren I. Hulkower、Randy L. Bell

  DOI：10.1016/s0960-894x(01)00212-8

  日期：2001.5

  The carboxyl group of the NSAID indomethacin was replaced with a variety of substituted thiazoles to obtain a series of potent, selective inhibitors of COX-2. Additional substitutions were made at the 1-position and 5-position of the indole of indomethacin. (C) 2001 Elsevier Science Ltd. All rights reserved.