methyl ((2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(propionyloxy)tetrahydro-2H-pyran-2-yl) fumarate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl ((2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(propionyloxy)tetrahydro-2H-pyran-2-yl) fumarate
• 英文别名: 1-O-methyl 4-O-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tri(propanoyloxy)oxan-2-yl] (E)-but-2-enedioate
• 化学式: C₂₀H₂₈O₁₁
• 分子量: 444.436
• InChiKey: NXWOXVNURAOANK-JCIPJKNJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  31
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  141
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  富马酸单甲酯 、 (2S,3S,4R,5R,6R)-5-acetoxy-6-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl di-propionate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以7.13%的产率得到methyl ((2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(propionyloxy)tetrahydro-2H-pyran-2-yl) fumarate
  参考文献：
  名称：

  [EN] MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE
  [FR] CONJUGUÉS DE MONOMÉTHYL FUMARATE ET D'UN PORTEUR ET LEURS MÉTHODES D'UTILISATION

  摘要：

  公开号：

  WO2020118178A8

文献信息

• MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US20210299079A1

  公开（公告）日：2021-09-30

  Disclosed are conjugates of monomethyl fumarate and a carrier group or aminocarrier group, or a pharmaceutically acceptable salt thereof. In the conjugates, monomethyl fumarate acyl is covalently bonded to the carrier group or aminocarrier group through a carbon-oxygen bond that is cleavable in vivo. The carrier group may include a core, e.g., a monosaccharide, a sugar acid (e.g., acid monosaccharide), a sugar alcohol, or a catechin polyphenol. The aminocarrier group may include a core, e.g., an aminomonosaccharide. The carrier group or aminocarrier group may include, e.g., at least one short chain fatty acid acyl, at least one tryptophan analogue, at least one ketone body, or at least one pre-ketone body. Also disclosed are pharmaceutical compositions containing the conjugates and methods of their use.
• [EN] MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE<br/>[FR] CONJUGUÉS DE MONOMÉTHYL FUMARATE ET D'UN PORTEUR ET LEURS MÉTHODES D'UTILISATION
  申请人：FLAGSHIP PIONEERING INNOVATIONS V INC

  公开号：WO2020118178A8

  公开（公告）日：2020-07-16