ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-2,2-diethyldocosa-4,7,10,13,16,19-hexaenoate | 914294-21-6

• 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: ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-2,2-diethyldocosa-4,7,10,13,16,19-hexaenoate
• 英文别名: ethyl (all-Z)-2,2-diethyl-4,7,10,13,16,19-docosahexaenoate
• CAS: 914294-21-6
• 化学式: C₂₈H₄₄O₂
• 分子量: 412.656
• InChiKey: BEEQDTLLGIIRME-SDEDJGNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  30
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-2,2-diethyldocosa-4,7,10,13,16,19-hexaenoate 在 苯硫酚 、 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 139.0h， 生成 (4Z,7Z,10Z,13Z,16Z,19Z)-2,2-diethyIdocosa-4,7,10,13,16,19-hexaenoic acid
  参考文献：
  名称：

  WO2019224602A5

  摘要：

  公开号：

  WO2019224602A5
• 作为产物：
  描述：

  (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-二十二碳六烯酸乙酯 、 碘乙烷 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.5h， 以43%的产率得到ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-2,2-diethyldocosa-4,7,10,13,16,19-hexaenoate
  参考文献：
  名称：

  WO2019224602A5

  摘要：

  公开号：

  WO2019224602A5

文献信息

• NEW DHA DERIVATIVES AND THEIR USE AS MEDICAMENTS
  申请人：Pronova BioPharma Norge AS

  公开号：EP1888727B1

  公开（公告）日：2015-04-15
• Novel compounds
  申请人：Bryhn Morten

  公开号：US20070088170A1

  公开（公告）日：2007-04-19

  Compounds of formula (I); wherein R 1 and R 2 are the same or different and may be selected from the group consisting of a hydrogen atom, a hydroxy group, an alkyl group, a halogen atom, an alkoxy group, an acyloxy group, an acyl group, an alkenyl group, an alkynyl group, an aryl group, an alkylthio group, an alkoxycarbonyl group, an alkylsulfinyl group, an alkylsulfonyl group, an amino group, and an alkylamino group; and X represents a carboxylic acid group, a carboxylate group, or a carboxamide group; or any pharmaceutically acceptable salt, solvate, complex or pro-drug thereof, with the provisos that the compound of formula (I) is not (all-Z)-4,7,10,13,16,19-docosahexaenoic acid (DHA), alpha-methyl DHA, alpha-methyl DHA methyl ester, alpha-methyl DHA ethyl ester or alpha-hydroxy DHA ethyl ester, are disclosed. A fatty acid composition and a pharmaceutical composition comprising such compounds are also disclosed. The use of such compounds as medicaments, in particular for the treatment of diabetes type 2, is also disclosed.
• Novel Compounds
  申请人：Bryhn Morten

  公开号：US20080300306A1

  公开（公告）日：2008-12-04

  Compounds of formula (I); wherein R 1 and R 2 are the same or different and may be selected from the group consisting of a hydrogen atom, a hydroxy group, an alkyl group, a halogen atom, an alkoxy group, an acyloxy group, an acyl group, an alkenyl group, an alkynyl group, an aryl group, an alkylthio group, an alkoxycarbonyl group, an alkylsulfinyl group, an alkylsulfonyl group, an amino group, and an alkylamino group; and X represents a carboxylic acid group, a carboxylate group, or a carboxamide group; or any pharmaceutically acceptable salt, solvate, complex or pro-drug thereof, with the provisos that the compound of formula (I) is not (all-Z)-4,7,10,13,16,19-docosahexaenoic acid (DHA), alpha-methyl-DHA, alpha-methyl DHA methyl ester, alpha-methyl-DHA ethyl ester or alpha-hydroxy DHA ethyl ester, are disclosed. A fatty acid composition and a pharmaceutical composition comprising such compounds are also disclosed. The use of such compounds as medicaments, in particular for the treatment of diabetes type 2, is also disclosed.
• NOVEL COMPOUNDS
  申请人：Bryhn Morten

  公开号：US20120065260A1

  公开（公告）日：2012-03-15

  Compounds of formula (I); wherein R 1 and R 2 are the same or different and may be selected from the group consisting of a hydrogen atom, a hydroxy group, an alkyl group, a halogen atom, an alkoxy group, an acyloxy group, an acyl group, an alkenyl group, an alkynyl group, an aryl group, an alkylthio group, an alkoxycarbonyl group, an alkylsulfinyl group, an alkylsulfonyl group, an amino group, and an alkylamino group; and X represents a carboxylic acid group, a carboxylate group, or a carboxamide group; or any pharmaceutically acceptable salt, solvate, complex or pro-drug thereof, with the provisos that the compound of formula (I) is not (all-Z)-4,7,10,13,16,19-docosahexaenoic acid (DHA), alpha-methyl DHA, alpha-methyl DHA methyl ester, alpha-methyl DHA ethyl ester or alpha-hydroxy DHA ethyl ester, are disclosed. A fatty acid composition and a pharmaceutical composition comprising such compounds are also disclosed. The use of such compounds as medicaments, in particular for the treatment of diabetes type 2, is also disclosed.
• US7550613B2
  申请人：——

  公开号：US7550613B2

  公开（公告）日：2009-06-23