S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-phenylbutanethioate

• 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: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-phenylbutanethioate
• 化学式: C₃₁H₄₆N₇O₁₇P₃S
• 分子量: 913.7
• InChiKey: NWMFUNHMPFMPTN-HSJNEKGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  59
• 可旋转键数：
  24
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

文献信息

• TREATMENT OF MEDIUM-CHAIN ACYL-COA DEHYDROGENASE DEFICIENCY
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：EP2838522A1

  公开（公告）日：2015-02-25
• Treatment of Medium-Chain Acyl-CoA Dehydrogenase Deficiency
  申请人：University of Pittsburgh - of the Commonwealth System of Higher Education

  公开号：US20150216824A1

  公开（公告）日：2015-08-06

  The present invention provides for methods and compositions for treating medium chain acyl-CoA dehydrogenase deficiency. It is based, at least in part, on the discovery that phenylbutyrate can serve as a substrate for medium chain acyl-CoA dehydrogenase. In non-limiting embodiments, phenylbutyrate and/or another source of phenylacetate is administered as a chaperone treatment to patients suffering from medium chain acyl-CoA dehydrogenase deficiency.
• TREATMENT OF MEDIUM-CHAIN ACYL-CoA DEHYDROGENASE DEFICIENCY
  申请人：UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：US20160166522A1

  公开（公告）日：2016-06-16

  The present invention provides for methods and compositions for treating medium chain acyl-CoA dehydrogenase deficiency. It is based, at least in part, on the discovery that phenylbutyrate can serve as a substrate for medium chain acyl-CoA dehydrogenase. In non-limiting embodiments, phenylbutyrate and/or another source of phenylacetate is administered as a chaperone treatment to patients suffering from medium chain acyl-CoA dehydrogenase deficiency.
• SYNTHESIS OF OMEGA FUNCTIONALIZED PRODUCTS
  申请人：William Marsh Rice University

  公开号：US20180135059A1

  公开（公告）日：2018-05-17

  The use of microorganisms to make omega- and/or omega-l-functionalized products through an iterative carbon chain elongation pathway that we call a reverse beta oxidation pathway. The pathway uses omega-functionalized CoA thioesters as primers and acetyl-CoA as the extender unit in a non-decarboxylative Claisen condensation, and then uses beta oxidation or fatty acid synthesis enzymes to complete the cycle, via reductase, dehydratase and reductase reactions. Various termination enzymes that act on the functionalized beta-keto acyl-CoA intermediates of the pathway and produce omega or omega-1 functionalized products. The action of termination enzymes on such intermediates yield a large variety of products.
• A METHOD FOR TREATING DAMAGE INDUCED BY SLEEP DEPRIVATION
  申请人：PRESIDENT AND FELLOWS OF HARVARD COLLEGE

  公开号：US20200129572A1

  公开（公告）日：2020-04-30

  Described herein are methods and compositions for the use of treating damage induced by SD. Aspects of the invention relate to administering to a subject in need thereof an agent that reduces reactive oxygen species. In some embodiments, administration of an agent that reduces reactive oxygen species repairs SD-induced damage in the gut.