ethyl (all-Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaenoate | 914294-38-5

• 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 (all-Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaenoate
• 英文别名: ethyl (all-Z)-2-thiomethyl-4,7,10,13,16,19-docosahexaenoate；ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaenoate
• CAS: 914294-38-5
• 化学式: C₂₅H₃₈O₂S
• 分子量: 402.642
• InChiKey: KCYMLTHEWORGSS-WSDBEMKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  28
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl (all-Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaenoate 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.08h， 以35%的产率得到ethyl (all-Z)-2-methylsulfinyldocosa-4,7,10,13,16,19-hexaenoate
  参考文献：
  名称：

  WO2007/107869

  摘要：

  公开号：

文献信息

• LIPID DERIVATIVES
  申请人：Holmeide Anne Kristin

  公开号：US20090105499A1

  公开（公告）日：2009-04-23

  The present invention relates to lipid compounds of the general formula (I): wherein—n=0-2, —R 1 and R 2 are the same or different and may be selected from a group of substituents consisting of a hydrogen atom, an alkyl group, a halogen atom, and an alkoxy group; -, X is COR 3 or CH 2 OR 4 , wherein —R 3 is selected from the group consisting of hydrogen, hydroxy, alkoxy, and amino, —wherein X further comprises carboxylic acid derivatives when R 3 is hydroxy and —R 4 is selected from the group consisting of hydrogen, alkyl or acyl, —Y is a C 9 to C 21 alkene with one or more double bonds with E or Z configuration; or any pharmaceutically acceptable complex, solvate or pro-drug thereof. The present invention also relates to pharmaceutical compositions comprising such lipid compounds, and to such lipid compounds for use as medicaments or for diagnostic purposes.

  本发明涉及通式（I）的脂质化合物，其中-n = 0-2，-R1和R2相同或不同，可以选择从氢原子，烷基，卤素原子和烷氧基的取代基组中选取；-，X为COR3或CH2OR4，其中-R3从氢，羟基，烷氧基和氨基的组中选择，-当R3为羟基时，X还包括羧酸衍生物，-R4从氢，烷基或酰基的组中选择，-Y是具有E或Z构型的C9到C21烯烃，或其任何药学上可接受的复合物，溶剂化合物或前药。本发明还涉及包含这种脂质化合物的制药组合物，以及这种脂质化合物用于药物或诊断目的的用途。
• 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.