{(2R,5R)-5-methyl-2-[(pyridine-2-ylsulfanyl)methyl]thiomorpholin-4-yl}[2-(2H-1,2,3-triazol-2-yl)phenyl]methanone | 1431507-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: {(2R,5R)-5-methyl-2-[(pyridine-2-ylsulfanyl)methyl]thiomorpholin-4-yl}[2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
• 英文别名: [(2R,5R)-5-methyl-2-(pyridin-2-ylsulfanylmethyl)thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
• CAS: 1431507-76-4
• 化学式: C₂₀H₂₁N₅OS₂
• 分子量: 411.552
• InChiKey: FPJPOFCHXDDGEK-HZPDHXFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-巯基吡啶 、 [(2R,5R)-2-(chloromethyl)-5-methylthiomorpholin-4-yl][2-(2H-1,2,3-triazol-2-yl)phenyl]methanone 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 {(2R,5R)-5-methyl-2-[(pyridine-2-ylsulfanyl)methyl]thiomorpholin-4-yl}[2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
  参考文献：
  名称：

  [EN] 2,5-DISUBSTITUTED THIOMORPHOLINE OREXIN RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES D'UN RÉCEPTEUR DE THIOMOPHOLINE OREXINE 2,5-DISUBSTITUÉS

  摘要：

  本发明涉及2,5-二取代硫吗啉酰胺化合物，这些化合物是促进素受体拮抗剂。本发明还涉及在治疗或预防涉及促进素受体的神经和精神障碍和疾病中使用本文所述的2,5-二取代硫吗啉酰胺化合物。本发明还涉及包含这些化合物的药物组合物。本发明还涉及在预防或治疗涉及促进素受体的疾病中使用这些药物组合物。

  公开号：

  WO2013059163A1

文献信息

• 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。
• US20140275050A1
  申请人：——

  公开号：US20140275050A1

  公开（公告）日：2014-09-18
• METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CANCER
  申请人：UNIVERSITÉ PARIS DIDEROT - PARIS 7

  公开号：US20180296549A1

  公开（公告）日：2018-10-18

  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.
• 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.