1,3-dihydroxypropan-2-yl 2-(((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaen-1-yl)oxy)butanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 1,3-dihydroxypropan-2-yl 2-(((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaen-1-yl)oxy)butanoate
• 英文别名: 1,3-dihydroxypropan-2-yl 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoate
• 化学式: C₂₇H₄₄O₅
• 分子量: 448.643
• InChiKey: HUHSQTFTUYBCNT-AAQCHOMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  32
• 可旋转键数：
  21
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaen-1-yl)oxy)butanoic acid 在 吡啶 、 甲醇 、 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 正戊烷 为溶剂， 反应 22.0h， 生成 1,3-dihydroxypropan-2-yl 2-(((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaen-1-yl)oxy)butanoate
  参考文献：
  名称：

  [EN] USE OF THIA OXO COMPOUNDS FOR LOWERING APO C3
  [FR] UTILISATION DE COMPOSÉS THIA OXO POUR LA RÉDUCTION DE L'APO C3

  摘要：

  公开了一种减少需要的主体中的载脂蛋白C-III（apoC-III）mRNA或蛋白质的方法，包括向其投予公式（I）的化合物的药效有效量，或其药效可接受的盐或酯，其中R1和R2分别选择自氢原子或线性、支链和/或环状的C1-C6烷基基团，但R1和R2不能同时为氢。

  公开号：

  WO2016156912A1

文献信息

• [EN] FATTY ACID DERIVATIVES FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS<br/>[FR] DÉRIVÉS D'ACIDE GRAS POUR LE TRAITEMENT DE LA STÉATOHÉPATITE NON ALCOOLIQUE
  申请人：BASF AS

  公开号：WO2019111048A1

  公开（公告）日：2019-06-13

  The present disclosure provides a compound for use in therapeutic and/or prophylactic treatment of non-alcoholic steatohepatitis (NASH) and/or alcoholic steatohepatitis (ASH). The compound for use according to the invention, is an unsaturated fatty acid with an oxygen incorporated in the β-position, and further comprising an α-substituent. More particularly, the invention provides a compound for use in treatment of NASH and/or ASH, and a method using this, wherein the compound is of Formula (II), wherein R1, R2, R3, X, and Y are as defined in the specification; and wherein this compound may be administered alone or in combination with an additional active agent.

  本公开提供了一种用于治疗和/或预防非酒精性脂肪肝炎（NASH）和/或酒精性脂肪肝炎（ASH）的化合物。根据本发明使用的化合物是一种在β位含有氧原子的不饱和脂肪酸，并且还包含一个α-取代基。更具体地说，本发明提供了一种用于治疗NASH和/或ASH的化合物以及使用该方法，其中该化合物是公式（II），其中R1、R2、R3、X和Y如说明书中所定义；并且该化合物可以单独使用或与另一种活性剂结合使用。
• POLYUNSATURATED FATTY ACIDS FOR THE TREATMENT OF DISEASES RELATED TO CARDIOVASCULAR, METABOLIC AND INFLAMMATORY DISEASE AREAS
  申请人：Hovland Ragnar

  公开号：US20120122940A1

  公开（公告）日：2012-05-17

  The present disclosure relates to lipid compounds of the general formula (I): R1-O—C(R2)(R3)-X  (I) wherein R 1 is a C 10 -C 22 alkyl group, a C 10 -C 22 alkenyl group having 1-6 double bonds, or 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 chosen from different substituents; and X is a carboxylic acid or a derivative thereof, such as a carboxylic ester, a carboxylic anhydride, a phospholipid, triglyceride, or a carboxamide; or a pharmaceutically acceptable salt, solvate, solvate of such salt or a prodrug thereof. The present disclosure also relates to pharmaceutical compositions and lipid compositions comprising at least one compound according to the present disclosure, 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.

  本公开涉及一般式（I）的脂质化合物：R1-O-C（R2）（R3）-X（I），其中R1是C10-C22烷基，具有1-6个双键的C10-C22烯基，或具有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；X是羧酸或其衍生物，例如羧酸酯，羧酸酐，磷脂，甘油三酯或羧酰胺；或药学上可接受的盐，溶剂，该盐的溶剂或其前药。本公开还涉及包含至少一种根据本公开的化合物的制药组合物和脂质组合物，并涉及这些化合物的用途作为药物或用于治疗，特别是用于治疗与心血管，代谢和炎症相关的疾病领域。
• [EN] POLYUNSATURATED FATTY ACIDS FOR THE TREATMENT OF DISEASES RELATED TO CARDIOVASCULAR, METABOLIC AND INFLAMMATORY DISEASE AREAS<br/>[FR] ACIDES GRAS POLYINSATURÉS POUR LE TRAITEMENT DE MALADIES RELATIVES AU DOMAINE DES MALADIES CARDIOVASCULAIRES, MÉTABOLIQUES ET INFLAMMATOIRES.
  申请人：PRONOVA BIOPHARMA NORGE AS

  公开号：WO2010128401A9

  公开（公告）日：2011-12-08
• USE OF THIA OXO COMPOUNDS FOR LOWERING APO C3
  申请人：Pronova Biopharma Norge AS

  公开号：US20180110747A1

  公开（公告）日：2018-04-26

  Methods are disclosed to reduce apolipoprotein C-III (apoC-III) mRNA or protein in a subject in need thereof, comprising administering a pharmaceutically effective amount of a compound of Formula (I), or a pharmaceutically acceptable salt or ester thereof, wherein R 1 and R 2 are independently chosen from a hydrogen atom or linear, branched, and/or cyclic C 1 -C 6 alkyl groups, with the proviso that R 1 and R 2 are not both hydrogen.
• US8735436B2
  申请人：——

  公开号：US8735436B2

  公开（公告）日：2014-05-27