N-[(E,2S,3R)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]pentanamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 鞘脂
• 英文名称: N-[(E,2S,3R)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]pentanamide
• 化学式: C₂₉H₅₅NO₈
• 分子量: 545.7
• InChiKey: QOVIEQUBDRIAHV-OSYNBSGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  38
• 可旋转键数：
  22
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  149
• 氢给体数：
  6
• 氢受体数：
  8

文献信息

• COMPOUNDS AND METHODS RELATING TO LYSOSOMAL STORAGE DISORDERS
  申请人：University of Washington through its Center of Commercialization

  公开号：US20160298169A1

  公开（公告）日：2016-10-13

  Methods are provided for detecting enzymatic activity of various lysosomal storage enzymes using substrates that include: a sugar moiety; a linker moiety allowing the conjugation of sugar moiety with the remaining structure of the substrate; and two or more fatty acid chains or derivatives thereof at least one of which is sufficiently structured to provide improved solubility in aqueous or organic solvent systems. Also provided are internal standards, and inhibitors for use in detecting or reducing enzymatic activity using the inventive substrates.

  提供了一种检测各种溶酶体贮存酶的酶活性的方法，使用的底物包括：糖基；连接基团，允许糖基与底物的其余结构结合；以及至少两个脂肪酸链或其衍生物，其中至少一个足够结构化以提供在水性或有机溶剂体系中改善溶解度。还提供了内部标准和抑制剂，用于使用创新底物检测或减少酶活性。
• Compounds and methods relating to lysosomal storage disorders
  申请人：University of Washington through its Center of Commercialization

  公开号：US11155851B2

  公开（公告）日：2021-10-26

  Methods are provided for detecting enzymatic activity of various lysosomal storage enzymes using substrates that include: a sugar moiety; a linker moiety allowing the conjugation of sugar moiety with the remaining structure of the substrate; and two or more fatty acid chains or derivatives thereof at least one of which is sufficiently structured to provide improved solubility in aqueous or organic solvent systems. Also provided are internal standards, and inhibitors for use in detecting or reducing enzymatic activity using the inventive substrates.

  本发明提供了使用底物检测各种溶酶体贮存酶的酶活性的方法，这些底物包括：糖分子；可使糖分子与底物的剩余结构共轭的连接分子；以及两条或两条以上的脂肪酸链或其衍生物，其中至少有一条脂肪酸链的结构足以改善其在水性或有机溶剂体系中的溶解性。此外，还提供了用于检测或降低使用本发明底物的酶活性的内标和抑制剂。
• US20140274798A1
  申请人：——

  公开号：US20140274798A1

  公开（公告）日：2014-09-18