5-(ethylsulfonyl)-2-(quinolin-6-yl)benzo[d]oxazole | 1118623-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-(ethylsulfonyl)-2-(quinolin-6-yl)benzo[d]oxazole
• 英文别名: 5-Ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole
• CAS: 1118623-69-0
• 化学式: C₁₈H₁₄N₂O₃S
• 分子量: 338.387
• InChiKey: DRWOPCAEMCWTGP-UHFFFAOYSA-N

物化性质

• 沸点：
  564.4±38.0 °C(predicted)
• 密度：
  1.350±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  喹啉-6-羧酸 、 2-氨基-4-(乙硫酰基)苯酚 在 polyphosphoric acid 作用下， 以63%的产率得到5-(ethylsulfonyl)-2-(quinolin-6-yl)benzo[d]oxazole
  参考文献：
  名称：

  Discovery of 2-Arylbenzoxazoles as Upregulators of Utrophin Production for the Treatment of Duchenne Muscular Dystrophy

  摘要：

  A series of novel 2-arylbenzoxazoles that upregulate the production of utrophin in murine H2K cells, as assessed using a luciferase reporter linked assay, have been identified. This compound class appears to hold considerable promise as a potential treatment for Duchenne muscular dystrophy. Following the delineation of structure-activity relationships in the series, a number of potent upregulators were identified, and preliminary ADME evaluation is described. These studies have resulted in the identification of 1, a compound that has been progressed to clinical trials.

  DOI：

  10.1021/jm200135z

文献信息

• Diaryl peptides as NS3-serine protease inhibitors of hepatitis C virus
  申请人：SCHERING CORPORATION

  公开号：US20020147139A1

  公开（公告）日：2002-10-10

  The present invention is directed to certain diaryl amide compounds as NS3-Serine protease inhibitors of hepatitis C virus. A particularly preferred compound is of the formula: 1

  本发明涉及某些作为丙型肝炎病毒 NS3-丝氨酸蛋白酶抑制剂的二芳基酰胺化合物。一种特别优选的化合物是式 1
• DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS
  申请人：Schering Corporation

  公开号：EP1343807B1

  公开（公告）日：2009-04-29
• US6911428B2
  申请人：——

  公开号：US6911428B2

  公开（公告）日：2005-06-28
• [EN] DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS<br/>[FR] PEPTIDES DIARYLIQUES UTILISES COMME INHIBITEURS DE NS3-SERINE PROTEASE DU VIRUS DE L'HEPATITE C
  申请人：SCHERING CORP

  公开号：WO2002048172A2

  公开（公告）日：2002-06-20

  The present invention is directed to certain diaryl amide compounds as NS3-Serine protease inhibitors of hepatitis C virus. A particularly preferred compound is of the formula (I).
• [EN] TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY<br/>[FR] TRAITEMENT DE LA DYSTROPHIE MUSCULAIRE DE DUCHENNE
  申请人：SUMMIT CORP PLC

  公开号：WO2009021750A2

  公开（公告）日：2009-02-19

  There are disclosed compounds of Formula (1). Pharmaceutical compositions containing the compounds are also provided. Methods of treatment of Duchenne muscular dystrophy, Becker muscular dystrophy and cachexia using the compounds and compositions are also provided.