4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridine | 427895-75-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridine
• 英文别名: 4-(2-tert-Butyl-5-(6-methoxy-napthalen-2-yl)-3H-imidazol-4-yl)-pyridine；4-[2-tert-butyl-4-(6-methoxy-2-naphthyl)-1H-imidazol-5-yl]pyridine；4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine
• CAS: 427895-75-8
• 化学式: C₂₃H₂₃N₃O
• 分子量: 357.455
• InChiKey: PMMFFQFKEZFCLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-溴-6-甲氧基萘 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium permanganate 、 copper(l) iodide 、 ammonium acetate 、 氧气 作用下， 以 二乙胺 、 丙酮 、 乙腈 、 正丁醇 为溶剂， 反应 6.5h， 生成 4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridine
  参考文献：
  名称：

  Trisubstituted Imidazoles as Mycobacterium tuberculosis Glutamine Synthetase Inhibitors

  摘要：

  Mycobacterium tuberculosis glutamine synthetase (MtGS) is a promising target for antituberculosis drug discovery. In a recent high-throughput screening study we identified several classes of MtGS inhibitors targeting the ATP-binding site. We now explore one of these classes, the 2-tert-butyl-4,5-diarylimidazoles, and present the design, synthesis, and X-ray crystallographic studies leading to the identification of MtGS inhibitors with submicromolar IC(50) values and promising antituberculosis MIC values.

  DOI：

  10.1021/jm201212h

文献信息

• Novel compounds
  申请人：——

  公开号：US20040053943A1

  公开（公告）日：2004-03-18

  The present invention is directed to novel compounds of Formula (I) for use in the treatment of diseases in a mammal, in which inappropriate, excessive or undesirable angiogenesis has occurred and/or where excessive Tie2 receptor activity has occurred.

  本发明涉及一种用于治疗哺乳动物疾病的新化合物，其化学式为（I），其中发生了不恰当、过度或不良的血管生成以及/或发生了过度的Tie2受体活性。
• EP1343779A4
  申请人：——

  公开号：EP1343779A4

  公开（公告）日：2004-01-28
• NOVEL COMPOUNDS
  申请人：SmithKline Beecham Corporation

  公开号：EP1343779A2

  公开（公告）日：2003-09-17
• US7449484B2
  申请人：——

  公开号：US7449484B2

  公开（公告）日：2008-11-11
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2002039954A2

  公开（公告）日：2002-05-23

  The present invention is directed to novel compounds of Formula (I) for use in the treatment of diseases in a mammal, in which inappropriate, excessive or undesirable angiogenesis has occurred and/or where excessive Tie2 receptor activity has occurred.