(S)-6-((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamido)-2-(nicotinamido)hexanoic acid | 1269181-74-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-6-((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamido)-2-(nicotinamido)hexanoic acid
• 英文别名: (2S)-6-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-2-(pyridine-3-carbonylamino)hexanoic acid
• CAS: 1269181-74-9
• 化学式: C₃₄H₄₇N₃O₄
• 分子量: 561.765
• InChiKey: DQDHCJOAWSSOOO-IQFVJVDXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  41
• 可旋转键数：
  22
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-Boc-L-赖氨酸甲酯盐酸盐 在 盐酸 、 2-(7-aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate 、 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 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 23.0h， 生成 (S)-6-((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamido)-2-(nicotinamido)hexanoic acid
  参考文献：
  名称：

  FATTY ACID NIACIN CONJUGATES AND THEIR USES

  摘要：

  这项发明涉及脂肪酸烟酸共轭物；包含有效量脂肪酸烟酸共轭物的组合物；以及治疗或预防代谢性疾病的方法，包括给予有效量脂肪酸烟酸共轭物。

  公开号：

  US20110053990A1

文献信息

• NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES
  申请人：Milne Jill C.

  公开号：US20120252850A1

  公开（公告）日：2012-10-04

  The invention relates to niacin conjugated fatty acid mixtures; compositions comprising an effective amount of a niacin conjugated fatty acid mixture; and methods for treating or preventing an metabolic disorder comprising the administration of an effective amount of a niacin conjugated fatty acid mixture.

  本发明涉及烟酸共轭脂肪酸混合物；包含有效量烟酸共轭脂肪酸混合物的组合物；以及治疗或预防代谢紊乱的方法，包括给予有效量的烟酸共轭脂肪酸混合物的管理。
• Fatty acid niacin conjugates and their uses
  申请人：Catabasis Pharmaceuticals, Inc.

  公开号：US08304551B2

  公开（公告）日：2012-11-06

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

  本发明涉及脂肪酸烟酸共轭物；包含有效量的脂肪酸烟酸共轭物的组合物；以及治疗或预防代谢性疾病的方法，包括给予有效量的脂肪酸烟酸共轭物。
• Niacin conjugated fatty acid mixtures and their uses
  申请人：Milne Jill C.

  公开号：US08940903B2

  公开（公告）日：2015-01-27

  The invention relates to niacin conjugated fatty acid mixtures; compositions comprising an effective amount of a niacin conjugated fatty acid mixture; and methods for treating or preventing an metabolic disorder comprising the administration of an effective amount of a niacin conjugated fatty acid mixture.

  本发明涉及烟酸共轭脂肪酸混合物；包含有效量烟酸共轭脂肪酸混合物的组合物；以及治疗或预防代谢性疾病的方法，包括给予有效量的烟酸共轭脂肪酸混合物。
• USE OF FATTY ACID NIACIN CONJUGATES FOR TREATING DISEASES
  申请人：CATABASIS PHARMACEUTICALS, INC.

  公开号：US20150352094A1

  公开（公告）日：2015-12-10

  The invention relates to fatty acid niacin conjugates; compositions comprising an effective amount of a fatty acid niacin conjugate; methods for treating or preventing an metabolic disease comprising the administration of an effective amount of a fatty acid niacin conjugate, and methods for treating or preventing an metabolic disease comprising the administration of an effective amount of a fatty acid niacin conjugate and another therapeutic agent.

  本发明涉及脂肪酸烟酸共轭物；包含有效量的脂肪酸烟酸共轭物的组合物；治疗或预防代谢性疾病的方法，包括给予有效量的脂肪酸烟酸共轭物的管理，以及治疗或预防代谢性疾病的方法，包括给予有效量的脂肪酸烟酸共轭物和另一种治疗剂的管理。
• 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。