(4Z,7Z,10Z,13Z,16Z,19Z)-1-[4-((5Z,8Z,11Z,14Z,17Z)icosa-5,8,11,14,17-pentaenoyl)piperazin-1-yl]docosa-4,7,10,13,16,19-hexaen-1-one | 1333067-27-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (4Z,7Z,10Z,13Z,16Z,19Z)-1-[4-((5Z,8Z,11Z,14Z,17Z)icosa-5,8,11,14,17-pentaenoyl)piperazin-1-yl]docosa-4,7,10,13,16,19-hexaen-1-one
• 英文别名: (4Z,7Z,10Z,13Z,16Z,19Z)-1-[4-((5Z,8Z,11 Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl)-piperazin-1-yl]-docosa-4,7,10,13,16,19-hexaen-1-one；(4Z,7Z,10Z,13Z,16Z,19Z)-1-[4-((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl)-piperazin-1-yl]-docosa-4,7,10,13,16,19-hexaen-1-one；(4Z,7Z,10Z,13Z,16Z,19Z)-1-[4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]piperazin-1-yl]docosa-4,7,10,13,16,19-hexaen-1-one
• CAS: 1333067-27-8
• 化学式: C₄₆H₆₈N₂O₂
• 分子量: 681.058
• InChiKey: CQDPGOOIDGPLAL-UYABLQOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  50
• 可旋转键数：
  27
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  全顺式二十碳五烯酸 、 (4Z,7Z,10Z,13Z,16Z,19Z)-1-(piperazin-1-yl)docosa-4,7,10,13,16,19-hexaen-1-one hydrochloride salt 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 (4Z,7Z,10Z,13Z,16Z,19Z)-1-[4-((5Z,8Z,11Z,14Z,17Z)icosa-5,8,11,14,17-pentaenoyl)piperazin-1-yl]docosa-4,7,10,13,16,19-hexaen-1-one
  参考文献：
  名称：

  [EN] BIS-FATTY ACID CONJUGATES AND THEIR USES
  [FR] CONJUGUÉS DE BIS-ACIDES GRAS ET LEURS UTILISATIONS

  摘要：

  该发明涉及双脂肪酸共轭物；包含有效量双脂肪酸共轭物的组合物；以及治疗或预防癌症、代谢性疾病或神经退行性疾病的方法，包括给予有效量双脂肪酸共轭物的管理。

  公开号：

  WO2012115695A1

文献信息

• [EN] BIS-FATTY ACID CONJUGATES AND THEIR USES<br/>[FR] CONJUGUÉS DE BIS-ACIDE GRAS ET LEURS UTILISATIONS
  申请人：CATABASIS PHARMACEUTICALS INC

  公开号：WO2011106688A1

  公开（公告）日：2011-09-01

  The invention relates to bis-fatty acid conjugates; compositions comprising an effective amount of a bis-fatty acid conjugate; and methods for treating or preventing cancer, a metabolic disease or a neurodegenerative disease comprising the administration of an effective amount of a bis-fatty acid conjugate.

  该发明涉及双脂肪酸共轭物；包含有效量双脂肪酸共轭物的组合物；以及用于治疗或预防癌症、代谢性疾病或神经退行性疾病的方法，包括给予有效量双脂肪酸共轭物的管理。
• BIS-FATTY ACID CONJUGATES AND THEIR USES
  申请人：Milne Jill C.

  公开号：US20130190327A1

  公开（公告）日：2013-07-25

  The invention relates to bis-fatty acid conjugates; compositions comprising an effective amount of a bis-fatty acid conjugate; and methods for treating or preventing cancer, a metabolic disease or a neurodegenerative disease comprising the administration of an effective amount of a bis-fatty acid conjugate.

  本发明涉及双脂肪酸共轭物；包含有效量的双脂肪酸共轭物的组合物；以及治疗或预防癌症、代谢性疾病或神经退行性疾病的方法，包括给予有效量的双脂肪酸共轭物。
• USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES
  申请人：Catabasis Pharmaceuticals, Inc.

  公开号：EP2949344A2

  公开（公告）日：2015-12-02

  The present invention relates to targeting an intracellular enzyme for release of covalently linked bioactives which results in a synergistic effect between the bioactives. The present invention relates to the use of bioactives that are directly connected covalently or through a covalent molecular linker which have increased therapeutic activity when released as the free bioactives by intracellular enzymes as compared to when the bioactives are administered individually (i.e. not covalendy linked). Further, methods are described of administering to patients in need thereof, bioactives as linked bioactives having increased therapeutic activity. Accordingly, this invention also relates to methods of treating patients for certain diseases.

  本发明涉及靶向细胞内酶释放共价连接的生物活性物质，从而使生物活性物质之间产生协同效应。本发明涉及直接共价连接或通过共价分子连接体连接的生物活性物质的使用，与单独施用生物活性物质（即未共价连接）相比，这些生物活性物质在作为游离生物活性物质被细胞内酶释放时具有更高的治疗活性。此外，本发明还描述了向有需要的患者施用生物活性物的方法，这些生物活性物作为连接的生物活性物具有更高的治疗活性。因此，本发明还涉及治疗患者某些疾病的方法。
• [EN] BIS-FATTY ACID CONJUGATES AND THEIR USES<br/>[FR] CONJUGUÉS DE BIS-ACIDES GRAS ET LEURS UTILISATIONS
  申请人：CATABASIS PHARMACEUTICALS INC

  公开号：WO2012115695A1

  公开（公告）日：2012-08-30

  The invention relates to bis-fatty acid conjugates; compositions comprising an effective amount of a bis-fatty acid conjugate; and methods for treating or preventing cancer, a metabolic disease or a neurodegenerative disease comprising the administration of an effective amount of a bis-fatty acid conjugate.

  该发明涉及双脂肪酸共轭物；包含有效量双脂肪酸共轭物的组合物；以及治疗或预防癌症、代谢性疾病或神经退行性疾病的方法，包括给予有效量双脂肪酸共轭物的管理。