N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)oxy-butyl]dodecanamide | 1309763-43-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)oxy-butyl]dodecanamide
• 英文别名: N-[(2S,3R)-1,3-dihydroxy-5-(2-oxochromen-7-yl)oxypentan-2-yl]dodecanamide
• CAS: 1309763-43-6
• 化学式: C₂₆H₃₉NO₆
• 分子量: 461.599
• InChiKey: NDFWDPYHZLWFTO-XZOQPEGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  33
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  月桂酸 、 7-(((3R,4S)-4-amino-3,5-dihydroxypentyl)oxy)-2H-chromen-2-one 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)oxy-butyl]dodecanamide
  参考文献：
  名称：

  [EN] BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS
  [FR] DÉRIVÉS DE BENZOXAZOLONE EN TANT QU'INHIBITEURS DE LA CÉRAMIDASE ACIDE, ET LEUR UTILISATION COMME MÉDICAMENTS

  摘要：

  本发明涉及苯并噁唑酮衍生物作为酸酶抑制剂，含有这些抑制剂的药物组合物以及用于抑制酸酶治疗临床相关的调节神经酰胺水平的疾病的方法。该发明还提供苯并噁唑酮衍生物作为药物在治疗癌症、炎症、疼痛、炎症性疼痛或肺部疾病中的用途。

  公开号：

  WO2015173168A1

文献信息

• [EN] BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS<br/>[FR] DÉRIVÉS DE BENZOXAZOLONE EN TANT QU'INHIBITEURS DE LA CÉRAMIDASE ACIDE, ET LEUR UTILISATION COMME MÉDICAMENTS
  申请人：FOND ISTITUTO ITALIANO DI TECNOLOGIA

  公开号：WO2015173168A1

  公开（公告）日：2015-11-19

  The present invention relates to benzoxazolone derivatives as acid ceramidase inhibitors, pharmaceutical compositions containing these inhibitors and methods of inhibiting acid ceramidase for the treatment of disorders in which modulation of the levels of ceramide is clinically relevant. The invention also provides benzoxazolone derivatives for use as a medicament in the treatment of cancer, inflammation, pain, inflammatory pain or pulmonary diseases.

  本发明涉及苯并噁唑酮衍生物作为酸酶抑制剂，含有这些抑制剂的药物组合物以及用于抑制酸酶治疗临床相关的调节神经酰胺水平的疾病的方法。该发明还提供苯并噁唑酮衍生物作为药物在治疗癌症、炎症、疼痛、炎症性疼痛或肺部疾病中的用途。
• [EN] SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS<br/>[FR] DÉRIVÉS DE BENZOXAZOLONE SUBSTITUÉS COMME INHIBITEURS DE LA CÉRAMIDASE ACIDE, ET LEUR UTILISATION COMME MÉDICAMENTS
  申请人：FOND ISTITUTO ITALIANO DI TECNOLOGIA

  公开号：WO2015173169A1

  公开（公告）日：2015-11-19

  The present invention relates to substituted benzoxazolone derivatives as acid ceramidase inhibitors, pharmaceutical compositions containing these inhibitors and methods of inhibiting acid ceramidase for the treatment of disorders in which modulation of the levels of ceramide is clinically relevant. The invention also provides substituted benzoxazolone derivatives for use in the treatment of cancer, inflammation, pain, inflammatory pain or pulmonary diseases.

  本发明涉及取代苯并噁唑酮衍生物作为酸酰胺酶抑制剂，含有这些抑制剂的药物组合物以及用于治疗调节酰胺水平在临床上相关的疾病的方法。该发明还提供了用于治疗癌症、炎症、疼痛、炎症性疼痛或肺部疾病的取代苯并噁唑酮衍生物。
• MODULATION OF N-ACYLETHANOLAMINE-HYDROLYSING ACID AMIDASE (NAAA) FOR DISEASE TREATMENT
  申请人：FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA

  公开号：US20190135802A1

  公开（公告）日：2019-05-09

  Pharmaceutical compositions make up a compound acting as inhibitor of N-acylethanolamine-hydrolysing acid amidase (NAAA), may be used for the therapeutical treatment and prevention of pain and inflammatory disorders and other disorders which benefit from the modulation of fatty acid ethanolamines, particularly palmitoylethanolamide (PEA). The compound is used in methods of inhibiting NAAA and methods of therapeutical treatment and prevention of pain and inflammation.

  药物组合物构成一种作为N-酰乙醇胺水解酸酶（NAAA）抑制剂的化合物，可用于治疗和预防疼痛和炎症性疾病以及其他受益于脂肪酸乙醇胺调节的疾病，特别是棕榈酰乙醇胺（PEA）。该化合物用于抑制NAAA的方法以及治疗和预防疼痛和炎症的方法。
• Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments
  申请人：FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA

  公开号：US10226452B2

  公开（公告）日：2019-03-12

  The present invention relates to benzoxazolone derivatives as acid ceramidase inhibitors, pharmaceutical compositions containing these inhibitors and methods of inhibiting acid ceramidase for the treatment of disorders in which modulation of the levels of ceramide is clinically relevant. The invention also provides benzoxazolone derivatives for use as a medicament in the treatment of cancer, inflammation, pain, inflammatory pain or pulmonary diseases.

  本发明涉及作为酸性神经酰胺酶抑制剂的苯并恶唑酮衍生物、含有这些抑制剂的药物组合物和抑制酸性神经酰胺酶的方法，用于治疗神经酰胺水平的调节与临床相关的疾病。本发明还提供了用作治疗癌症、炎症、疼痛、炎性疼痛或肺部疾病的药物的苯并恶唑酮衍生物。
• Modulation of N-acylethanolamine-hydrolysing acid amidase (NAAA) for disease treatment
  申请人：FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA

  公开号：US10364242B2

  公开（公告）日：2019-07-30

  Pharmaceutical compositions make up a compound acting as inhibitor of N-acylethanolamine-hydrolyzing acid amidase (NAAA), may be used for the therapeutical treatment and prevention of pain and inflammatory disorders and other disorders which benefit from the modulation of fatty acid ethanolamines, particularly palmitoylethanolamide (PEA). The compound is used in methods of inhibiting NAAA and methods of therapeutical treatment and prevention of pain and inflammation.

  由一种作为 N-乙酰乙醇胺-水解酸酰胺酶（NAAA）抑制剂的化合物组成的药物组合物，可用于治疗和预防疼痛、炎症性疾病和其他从调节脂肪酸乙醇胺，特别是棕榈酰乙醇胺（PEA）中获益的疾病。该化合物可用于抑制 NAAA 的方法以及治疗和预防疼痛和炎症的方法。