2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamidoethyl methyl fumarate | 1314800-83-3

• 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-(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamidoethyl methyl fumarate
• 英文别名: 4-O-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl] 1-O-methyl (E)-but-2-enedioate
• CAS: 1314800-83-3
• 化学式: C₂₉H₄₁NO₅
• 分子量: 483.648
• InChiKey: NUROIPWXKCAZOL-CKDYJQHLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  35
• 可旋转键数：
  21
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  富马酸单甲酯 在 N,N-二甲基甲酰胺 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 生成 2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamidoethyl methyl fumarate
  参考文献：
  名称：

  FATTY ACID FUMARATE DERIVATIVES AND THEIR USES

  摘要：

  这项发明涉及脂肪酸富马酸酯衍生物；包含有效量脂肪酸富马酸酯衍生物的组合物；以及治疗或预防癌症、代谢紊乱或神经退行性疾病的方法，包括给予有效量脂肪酸富马酸酯衍生物。

  公开号：

  US20110172240A1

文献信息

• METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES
  申请人：Rajasekhar Vijaykumar

  公开号：US20170258751A1

  公开（公告）日：2017-09-14

  Pharmaceutical compositions comprising Fatty Acid Fumarate Derivatives, and methods of using Fatty Acid Fumarate Derivatives and pharmaceutical compositions thereof for treating heart failure diseases, including heart failure with preserved ejection fraction (HFPEF), comprising the administration of an effective amount of a Fatty Acid Fumarate Derivative alone or in combination with statins (HMG-CoA reductase inhibitors) are disclosed.
• METHODS OF TREATING HEART FAILURE
  申请人：Rajasekhar Vijaykumar

  公开号：US20180271820A1

  公开（公告）日：2018-09-27

  Pharmaceutical preparations and methods for treating or preventing a heart failure disease, including heart failure with preserved ejection fraction (HFPEF), with one or more dialkyl fumarates alone or in combination with one or more second agents are provided herein. In some embodiments, the pharmaceutical preparations are in the form of micro-tablets or pellets.
• US8969354B2
  申请人：——

  公开号：US8969354B2

  公开（公告）日：2015-03-03
• US9289503B2
  申请人：——

  公开号：US9289503B2

  公开（公告）日：2016-03-22
• [EN] FATTY ACID FUMARATE DERIVATIVES AND THEIR USES<br/>[FR] DÉRIVÉS FUMARATÉS D'ACIDES GRAS ET LEURS UTILISATIONS
  申请人：CATABASIS PHARMACEUTICALS INC

  公开号：WO2011085211A1

  公开（公告）日：2011-07-14

  The invention relates to Fatty Acid Fumarate Derivatives; compositions comprising an effective amount of a Fatty Acid Fumarate Derivative; and methods for treating or preventing cancer, a metabolic disorder or neurodegenerative disorder comprising the administration of an effective amount of a Fatty Acid Fumarate Derivative.