17(S)-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid | 123673-33-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 17(S)-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid
• 英文别名: 17(S)-hydroperoxy-4,7,10,13,15,19-docosahexaenoic acid；4,5-dehydro-17S-H(p)DHA；17S-H(p)DHA；17S-HpDHA；(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoic acid
• CAS: 123673-33-6
• 化学式: C₂₂H₃₂O₄
• 分子量: 360.494
• InChiKey: BNHQALRBDJVUQB-YTQNUIGOSA-N

物化性质

• 溶解度：
  DMF：可混溶； DMSO：可混溶；乙醇：可混溶； PBS（pH 7.2）：0.8 mg/ml

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  17(S)-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid 生成
  参考文献：
  名称：

  [EN] USE OF DOCOSATRIENES, RESOLVINS AND THEIR STABLE ANALOGS IN THE TREATMENT OF AIRWAY DISEASES AND ASTHMA
  [FR] UTILISATION DE DOCOSATRIENES, RESOLVINES ET LEURS ANALOGUES STABLES POUR LE TRAITEMENT DE MALADIES DES VOIES RESPIRATOIRES ET DE L'ASTHME

  摘要：

  公开号：

  WO2005089744A3
• 作为产物：
  描述：

  二十二碳六烯酸 在 15-lipoxygenase soybean 作用下， 生成 17(S)-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid
  参考文献：
  名称：

  [EN] USE OF DOCOSATRIENES, RESOLVINS AND THEIR STABLE ANALOGS IN THE TREATMENT OF AIRWAY DISEASES AND ASTHMA
  [FR] UTILISATION DE DOCOSATRIENES, RESOLVINES ET LEURS ANALOGUES STABLES POUR LE TRAITEMENT DE MALADIES DES VOIES RESPIRATOIRES ET DE L'ASTHME

  摘要：

  公开号：

  WO2005089744A3

文献信息

• [EN] RESOLVINS: BIOTEMPLATES FOR THERAPEUTIC INTERVENTIONS<br/>[FR] LES RESOLVINES, DES GABARITS BIOLOGIQUES CONVENANT POUR DE NOUVELLES INTERVENTIONS THERAPEUTIQUES
  申请人：BRIGHAM & WOMENS HOSPITAL

  公开号：WO2004014835A3

  公开（公告）日：2004-04-15
• Use of Docosatrienes, Resolvins and Their Stable Analogs in the Treatment of Airway Diseases and Asthma
  申请人：Serhan N. Charles

  公开号：US20080096961A1

  公开（公告）日：2008-04-24

  The present invention is generally drawn to novel isolated therapeutic agents, termed resolving, generated from the interaction between a dietary omega-3 polyunsaturated fatty acid (PUFA) such as eicosapentaenoic acid (EPA) or docosahexaenoic acid (DHA), cyclooxygenase-II (COX-2) and an analgesic, such as aspirin (ASA). Surprisingly, careful isolation of compounds generated from the combination of components in an appropriate environment provide di- and tri-hydroxy EPA or DHA compounds having unique structural and physiological properties. The present invention therefore provides for many new useful therapeutic di- or tri-hydroxy derivatives of EPA or DHA (resolvins) that diminish, prevent, or eliminate inflammation or PMN migration, for example. The present invention also provides methods of use, methods of preparation, and packaged pharmaceuticals for use as medicaments for the compounds disclosed throughout the specification.
• Oxylipins From Long Chain Polyunsaturated Fatty Acids and Methods of Making and Using the Same
  申请人：Arterburn Linda

  公开号：US20110178047A1

  公开（公告）日：2011-07-21

  Disclosed are novel oxylipins, referred to herein as docosanoids, that are derived from C22 polyunsaturated fatty acids, and method of making and using such oxylipins. Also disclosed is the use of docosapentaenoic acid (C22:5n-6) (DPAn-6), docosapentaenoic acid (C22:5n-3) (DPAn-3), and docosatetraenoic acid (DTAn-6: C22:4n-6) as substrates for the production of novel oxylipins, and to the oxylipins produced thereby. Also disclosed is the use of DPAn-6, DPAn-3, DTAn-6, and/or the oxylipins derived therefrom, and/or novel docosanoids derived from the structures of C22 fatty acids, in therapeutic and nutritional or cosmetic applications, and particularly as anti-inflammatory or anti-neurodegenerative compounds. The invention also relates to novel ways of producing long chain polyunsaturated acid (LCPUFA)-rich oils and compositions that contain enhanced and effective amounts of LCPUFA-derived oxylipins, and particularly, docosanoids.
• RESOLVINS: BIOEMPLATES FOR NOVEL THERAPEUTIC INTERVENTIONS
  申请人：Serhan Charles N.

  公开号：US20130217771A1

  公开（公告）日：2013-08-22

  The present invention is generally drawn to novel isolated therapeutic agents, termed resolvins, generated from the interaction between a dietary omega-3 polyunsaturated fatty acid (PUFA) such as eicosapentaenoic acid (EPA) or docosahexaenoic acid (DHA), cyclooxygenase-II (COX-2) and an analgesic, such as aspirin (ASA). Surprisingly, careful isolation of compounds generated from the combination of components in an appropriate environment provide di- and tri-hydroxy EPA or DHA compounds having unique structural and physiological properties. The present invention therefore provides for many new useful therapeutic di- or tri-hydroxy derivatives of EPA or DHA (resolvins) that diminish, prevent, or eliminate inflammation or PMN migration, for example. The present invention also provides methods of use, methods of preparation, and packaged pharmaceuticals for use as medicaments for the compounds disclosed throughout the specification.
• US7759395B2
  申请人：——

  公开号：US7759395B2

  公开（公告）日：2010-07-20