3-(2-ethoxy-phenyl)-1-[(R,S)-1-(4-methyl-3-oxo-3,4-dihydro-quinoxalin-2-yl)ethyl]-1-((S)-1-phenyl-ethyl)urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-(2-ethoxy-phenyl)-1-[(R,S)-1-(4-methyl-3-oxo-3,4-dihydro-quinoxalin-2-yl)ethyl]-1-((S)-1-phenyl-ethyl)urea
• 英文别名: 3-(2-ethoxyphenyl)-1-[1-(4-methyl-3-oxoquinoxalin-2-yl)ethyl]-1-[(1S)-1-phenylethyl]urea
• 化学式: C₂₈H₃₀N₄O₃
• 分子量: 470.571
• InChiKey: PYSOXTAJMQFZEO-XJDOXCRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异氰酸2-乙氧基苯酯 、 1-methyl-3-[(R,S)-1-((S)-1-phenyl-ethylamino)-ethyl]-1H-quinoxalin-2-one 以 氯仿 为溶剂， 反应 20.0h， 生成 3-(2-ethoxy-phenyl)-1-[(R,S)-1-(4-methyl-3-oxo-3,4-dihydro-quinoxalin-2-yl)ethyl]-1-((S)-1-phenyl-ethyl)urea
  参考文献：
  名称：

  [EN] QUINOXALINONE-3- ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  [FR] DERIVES DE QUINOXALINONE-3- ONE UTILISES COMME ANTAGONISTES DU RECEPTEUR D'OREXINE

  摘要：

  本发明涉及一般式(I)的喹喔啉酮衍生物及其在制备药物组合物中作为活性成分的用途。本发明还涉及相关方面，包括制备该化合物的过程，含有一个或多个该化合物的药物组合物，特别是它们作为促进睡眠的药物受体拮抗剂的用途。其中X和R1-R9如描述中所定义。

  公开号：

  WO2004096780A1

文献信息

• Quinoxalinone-3-one derivatives as orexin receptor antagonists
  申请人：Aissaoui Hamed

  公开号：US20070027157A1

  公开（公告）日：2007-02-01

  The invention relates to quinoxalinone derivatives of general Formula (I) and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists. General Formula (I) wherein X and R 1 -R 9 are as defined in the description

  该发明涉及通式（I）的喹喔啉酮衍生物及其作为制备药物组分的活性成分的使用。该发明还涉及相关方面，包括制备该化合物的过程，含有其中一种或多种化合物的药物组合物，特别是它们作为促进睡眠荷尔蒙受体拮抗剂的用途。通式（I）中X和R1-R9如说明中所定义。
• Methods and pharmaceutical compositions for the treatment of cancer
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE)

  公开号：US10894042B2

  公开（公告）日：2021-01-19

  The present invention relates to methods and pharmaceutical compositions for the treatment of cancer. More particularly, the present invention relates to a method of treating cancer in subject in need thereof comprising administering the subject with a therapeutically effective amount of at least one OX1R antagonist.

  本发明涉及治疗癌症的方法和药物组合物。更具体地说，本发明涉及一种治疗有需要的受试者癌症的方法，该方法包括向受试者施用治疗有效量的至少一种 OX1R 拮抗剂。
• QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1620409B1

  公开（公告）日：2008-01-09
• USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES
  申请人：Inserm (Institut National De La Sante et de la Recherche Medicale)

  公开号：US20190083508A1

  公开（公告）日：2019-03-21

  The present invention relates to methods and pharmaceutical compositions for the treatment of inflammatory bowel diseases.
• METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCJAE MÉDICALE

  公开号：US20190151304A1

  公开（公告）日：2019-05-23

  The present invention relates to methods and pharmaceutical compositions for the treatment of autoimmune inflammatory diseases. The inventors showed that orexin receptor antagonists have anti-inflammatory properties. Indeed, these compounds are antagonist for OX1R-mediated calcium mobilization but a full agonist for OX1R-mediated mitochondrial apoptosis, which is the mechanism involved in the improvement of resolution of inflammation observed in the models of colitis, multiple sclerosis and pancreatitis. In particular, the present invention relates to a method of treating an autoimmune inflammatory disease in a subject in need thereof comprising administering to the subject a therapeutically effective amount of at least one OX1R antagonist.