2-((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenylthio)-2-methylpropanoic acid | 1204619-49-7

• 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: 2-((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenylthio)-2-methylpropanoic acid
• 英文别名: (all-Z)-2,2-dimethyl-3-thia-8,11,14,17,20-tricosapentaenoic acid；2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]sulfanyl-2-methylpropanoic acid
• CAS: 1204619-49-7
• 化学式: C₂₄H₃₈O₂S
• 分子量: 390.631
• InChiKey: FOVUVFJCIMQFJK-AAQCHOMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  27
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  S-(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl ethanethioate 在 lithium hydroxide monohydrate 、 水 、 sodium hydride 、 potassium carbonate 作用下， 以 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 5.08h， 生成 2-((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenylthio)-2-methylpropanoic acid
  参考文献：
  名称：

  [EN] USE OF STRUCTURALLY ENHANCED FATTY ACIDS CONTAINING SULPHUR FOR PREVENTING AND/OR TREATING NON-ALCOHOLIC STEATOHEPATITIS
  [FR] UTILISATION D'ACIDES GRAS STRUCTURELLEMENT AMÉLIORÉS CONTENANT DU SOUFRE POUR PRÉVENIR ET/OU TRAITER LA STÉATOSE HÉPATIQUE NON ALCOOLIQUE

  摘要：

  本公开涉及一种预防和/或治疗需要的受试者中的非酒精性脂肪性肝炎的方法，包括向受试者投予化合物的药效量，该化合物的化学式为（II）：其中R1、R2、R3、X和Y如规范中定义；或者该盐的药用可接受的溶剂、溶剂或该盐的溶剂的药用可接受的盐。更具体地，本公开涉及一种预防和/或治疗非酒精性脂肪性肝炎的方法，包括向受试者投予化合物的药效量，该化合物的化学式为（I）：其中R2、R3和X如规范中定义；或者该盐的药用可接受的溶剂、溶剂或该盐的溶剂的药用可接受的盐。此外，本发明涉及一种化合物的化学式（I），用于预防和/或治疗非酒精性脂肪性肝炎，其中R2、R3和X如规范中定义；或者该盐的药用可接受的溶剂、溶剂或该盐的溶剂的药用可接受的盐。

  公开号：

  WO2016173923A1

文献信息

• Novel lipid compounds
  申请人：Pronova BioPharma Norge AS

  公开号：EP2147910A1

  公开（公告）日：2010-01-27

  The present invention relates to lipid compounds of the general formula (I): wherein R1 is selected from a C10-C22 alkyl, a C10-C22 alkenyl having 1-6 double bonds, and a C10-C22 alkynyl having 1-6 triple bonds;R2 and R3 are the same or different and may be selected from a group of different substituents; Y is selected from suphur, sulfoxide, and sulfone; and X represents a carboxylic acid or a derivative thereof, a carboxylic ester, a carboxylic anhydride or a carboxamide; or a pharmaceutically acceptable salt, complex or solvate thereof. The invention also relates to pharmaceutical compositions and lipid compositions comprising such compounds, and to such compounds for use as medicaments or for use in therapy, in particular for the treatment of diseases related to the cardiovascular, metabolic and inflammatory disease area.

  本发明涉及通式（I）的脂质化合物： 其中R1选自C10-C22烷基，具有1-6个双键的C10-C22烯基，具有1-6个三键的C10-C22炔基； R2和R3相同或不同，可选自不同取代基的一组；Y选自硫、亚砜和砜；X代表羧酸或其衍生物，羧酸酯，羧酸酐或羧酰胺；或其药学上可接受的盐，络合物或溶剂化物。 该发明还涉及包含这种化合物的药物组合物和脂质组合物，以及用作药物或用于治疗，特别是用于治疗与心血管、代谢和炎症相关疾病领域的这种化合物。
• NOVEL SULPHUR CONTAINING LIPIDS FOR USE AS FOOD SUPPLEMENT OR AS MEDICAMENT
  申请人：Holmeide Anne Kristin

  公开号：US20110190395A1

  公开（公告）日：2011-08-04

  The present disclosure relates to lipid compounds of general formula (I) wherein R 1 is chosen from a C 10 -C 22 alkyl group, a C 10 -C 22 alkenyl group having 1-6 double bonds, and a C 10 -C 22 alkynyl group having 1-6 triple bonds; R 2 and R 3 are the same or different and may be selected from different substituents; Y is chosen from sulphur, sulfoxide, and sulfone; and X is a carboxylic acid or a derivative thereof, a carboxylic ester, a carboxylic anhydride, or a carboxamide; or a pharmaceutically acceptable salt, complex, or solvate thereof. The present disclosure also relates to pharmaceutical compositions and lipid compositions comprising such compounds, and methods of using such compounds such as for treating diseases related to cardiovascular, metabolic, and/or inflammatory diseases.

  本公开涉及通式（I）的脂质化合物，其中R1选择自C10-C22烷基，具有1-6个双键的C10-C22烯基，和具有1-6个三键的C10-C22炔基；R2和R3相同或不同，可以选择不同的取代基；Y选择自硫、亚硫酸和磺酰基；X是羧酸或其衍生物、羧酸酯、羧酸酐或羧酰胺；或其药学上可接受的盐、复合物或溶剂化物。本公开还涉及包含这种化合物的制药组合物和脂质组合物，以及使用这种化合物的方法，例如用于治疗与心血管、代谢和/或炎症相关的疾病。
• Sulphur containing lipids for use as food supplement or as medicament
  申请人：Holmeide Anne Kristin

  公开号：US08759558B2

  公开（公告）日：2014-06-24

  The present invention relates to lipid compounds of the general formula (I): wherein R1 is selected from a C10-C22 alkyl, a C10-C22 alkenyl having 1-6 double bonds, and a C10-C22alkynyl having 1-6 triple bonds; R2 and R3 are the same or different and may be selected from a group of different substituents; Y is selected from sulphur, sulfoxide, and sulfone; and X represents a carboxylic acid or a derivative thereof, a carboxylic ester, a carboxylic anhydride or a carboxamide; or a pharmaceutically acceptable salt, complex or solvate thereof. The invention also relates to pharmaceutical compositions and lipid compositions comprising such compounds, and to such compounds for use as medicaments or for use in therapy, in particular for the treatment of diseases related to the cardiovascular, metabolic and inflammatory disease area.

  本发明涉及通式（I）的脂质化合物：其中R1选自C10-C22烷基，具有1-6个双键的C10-C22烯基和具有1-6个三键的C10-C22炔基；R2和R3相同或不同，可以从不同的取代基组中选择；Y选自硫、亚砜和磺酰；X代表羧酸或其衍生物、羧酸酯、羧酸酐或羧酰胺；或其药学上可接受的盐、络合物或溶剂化物。本发明还涉及包含这种化合物的制药组合物和脂质组合物，以及这种化合物作为药物或用于治疗，尤其是用于治疗与心血管、代谢和炎症相关的疾病。
• Substituted fatty acids for treating non-alcoholic steatohepatitis
  申请人：BASF AS

  公开号：US10722481B2

  公开（公告）日：2020-07-28

  The present disclosure relates to a method of preventing and/or treating non-alcoholic steatohepatitis in a subject in need thereof, comprising administering to the subject a pharmaceutically effective amount of a compound of Formula (II): wherein R1, R2, R3, X and Y are as defined in the specification; or a pharmaceutically acceptable salt, solvate, or solvate of such a salt. More particularly, the present disclosure relates to a method of preventing and/or treating non-alcoholic steatohepatitis in a subject in need thereof, comprising administering to the subject a pharmaceutically effective amount of a compound of Formula (I): wherein R2, R3, and X, are as defined in the specification; or a pharmaceutically acceptable salt, solvate, or solvate of such a salt. Further, the present invention relates to a compound of Formula (I) for preventing and/or treating non-alcoholic steatohepatitis, wherein R2, R3 and X are as defined in the specification; or a pharmaceutically acceptable salt, solvate, or solvate of such a salt.

  本公开涉及一种预防和/或治疗有需要的受试者的非酒精性脂肪性肝炎的方法，包括向受试者施用药学上有效量的式（II）化合物： 其中 R1、R2、R3、X 和 Y 如说明书中所定义； 或此类盐的药学上可接受的盐、溶解物或溶胶。 更具体地说，本公开涉及一种预防和/或治疗有需要的受试者的非酒精性脂肪性肝炎的方法，包括向受试者施用药学上有效量的式（I）化合物： 其中 R2、R3 和 X 如说明书中所定义； 或此类盐的药学上可接受的盐、溶液或溶解物。 此外，本发明涉及一种用于预防和/或治疗非酒精性脂肪性肝炎的式 (I) 化合物，其中 R2、R3 和 X 如说明书中所定义；或这种盐的药学上可接受的盐、溶液或溶盐酸盐。
• USE OF STRUCTURALLY ENHANCED FATTY ACIDS CONTAINING SULPHUR FOR PREVENTING AND/OR TREATING NON-ALCOHOLIC STEATOHEPATITIS
  申请人：Pronova BioPharma Norge AS

  公开号：EP3288550A1

  公开（公告）日：2018-03-07