(all-Z)-Henicosa-6,9,12,15,18-pentaen-2-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (all-Z)-Henicosa-6,9,12,15,18-pentaen-2-one
• 英文别名: eicosapentaenoic acid；(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaen-2-one
• 化学式: C₂₁H₃₂O
• 分子量: 300.484
• InChiKey: MBJNLPRJOGVHFS-JEBPEJKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  22
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (all-Z)-Henicosa-6,9,12,15,18-pentaen-2-one 在 sodium hydride 作用下， 以 苯 为溶剂， 反应 48.5h， 以53%的产率得到ethyl (2E,7Z,10Z,13Z,16Z,19Z)-3-methyldocosa-2,7,10,13,16,19-hexaenoate
  参考文献：
  名称：

  WO2007/107869

  摘要：

  公开号：
• 作为产物：
  描述：

  全顺式二十碳五烯酸 、 甲基锂 以 乙醚 为溶剂， 反应 1.0h， 以48%的产率得到(all-Z)-Henicosa-6,9,12,15,18-pentaen-2-one
  参考文献：
  名称：

  Syntheses of some polyunsaturated trifluoromethyl ketones as potential phospholipase A2 inhibitors

  摘要：

  从（全-Z）-5,8,11,14,17-二十碳五烯酸[（全-Z）-5,8,11,14,17-二十碳五烯酸，EPA]和（全-Z）-4,7,10,13,16,19-二十二碳六烯酸（DHA）出发，已经合成了几种含有硫或氧原子在β位的三氟甲基酮，这些化合物被认为是细胞质磷脂酶A2的潜在抑制剂。作为这项工作的一部分，EPA和DHA分别被氧化降解为（全-Z）-3,6,9,12-十五碳四烯醛和（全-Z）-3,6,9,12,15-十八碳五烯醛，总产率均为75%。

  DOI：

  10.1039/b001944p

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS
  申请人：Kandula Mahesh

  公开号：US20150133407A1

  公开（公告）日：2015-05-14

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of respiratory disorders may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of viscid or excessive mucus, cough, inflammation, redness in sore throat, infection in the throat, sore throat, abnormal mucus secretion, impaired mucus transport, allergic rhinitis, asthma, COPD, respiratory muscular disorders and pain in acute sore throat.

  本发明涉及公式I的化合物或其药用可接受的盐，以及它们的聚合物、溶剂化物、对映体、立体异构体和水合物。包含有效量的公式I化合物的药物组合物，以及用于治疗呼吸系统疾病的方法，可以口服、颊部、直肠、局部、经皮、经粘膜、静脉、非肠道给药、糖浆或注射剂的形式制备。此类组合物可用于治疗粘性或过量粘液、咳嗽、喉咙痛的红肿、喉咙感染、喉咙痛、异常粘液分泌、粘液运输受损、过敏性鼻炎、哮喘、慢性阻塞性肺病（COPD）、呼吸肌疾病和急性喉咙痛的疼痛。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUCOSITIS
  申请人：Kandula Mahesh

  公开号：US20150307446A1

  公开（公告）日：2015-10-29

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of mucositis may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of mucus diseases related to painful inflammation and ulceration of the digestive tract lining and in the mouth.

  该发明涉及公式I的化合物或其药用可接受盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括有效量的公式I化合物的药物组合物，以及用于治疗粘膜炎的方法可以制备为口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射剂。这种组合物可用于治疗与消化道内膜疼痛性炎症和溃疡相关的黏膜疾病。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF COUGH
  申请人：Kandula Mahesh

  公开号：US20150133533A1

  公开（公告）日：2015-05-14

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for treating or preventing cough may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of acute respiratory tract infections, asthma, gout, fibromyalgia, facilitating conception, promotes secondary mucosal secretions in the respiratory system, muscle relaxant, allergy, asthma, chronic obstructive pulmonary disorders, spasms, respiratory and neurological diseases.

  该发明涉及公式I的化合物或其药用可接受的盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括有效量的公式I化合物的药物组合物，以及用于治疗或预防咳嗽的方法可以制备为口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射。这种组合物可用于治疗急性呼吸道感染、哮喘、痛风、纤维肌痛、促进受孕、促进呼吸系统中的次级粘膜分泌、肌肉松弛剂、过敏、哮喘、慢性阻塞性肺疾病、痉挛、呼吸和神经系统疾病。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF LOCAL PAIN
  申请人：Kandula Mahesh

  公开号：US20150119423A1

  公开（公告）日：2015-04-30

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of local pain may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of moderate to severe pain, neuropathic pain, post herpetic neuralgia and rheumatic pains.

  本发明涉及公式I的化合物或其药用可接受的盐，以及它们的多种晶型、溶剂化物、对映异构体、立体异构体和水合物。包括有效量的公式I化合物的药物组合物，以及用于治疗局部疼痛的方法，可以口服、颊部、直肠、局部、经皮、经粘膜、静脉内、非肠道给药、糖浆或注射等方式进行配方。此类组合物可用于治疗中等到重度疼痛、神经性疼痛、带状疱疹后遗神经痛和风湿性疼痛。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF FIBROMYALGIA PAIN
  申请人：KANDULA Mahesh

  公开号：US20150111966A1

  公开（公告）日：2015-04-23

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of fibromyalgia pain may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of injury, post-operative pain, osteoarthritis, rheumatoid arthritis, multiple sclerosis, spinal cord injury, migraine, HIV related neuropathic pain, post herpetic neuralgia, diabetic neuropathy, bipolar depression, stress, cancer pain, and lower back pain.

  该发明涉及公式I的化合物或其药用可接受的盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括有效量的公式I化合物的药物组合物，以及用于治疗纤维肌痛的方法可以制备为口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射剂。这种组合物可用于治疗损伤、术后疼痛、骨关节炎、类风湿性关节炎、多发性硬化、脊髓损伤、偏头痛、艾滋病相关的神经痛、带状疱疹后神经痛、糖尿病性神经病变、双相抑郁症、压力、癌症疼痛和腰背痛的治疗。