(1S,4S,5R,8S,9R,10S,12R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane;4-oxo-4-[[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid;(1S,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1S,4S,5R,8S,9R,10S,12R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane;4-oxo-4-[[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid;(1S,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
• 化学式: C50H76O18
• 分子量: 965.1
• InChiKey: FCNBVFFIZJHXEO-QLRKMLOMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.84
• 重原子数：
  68
• 可旋转键数：
  6
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  201
• 氢给体数：
  1
• 氢受体数：
  18

文献信息

• ARTEMISININ AND ITS DERIVATIVES FOR USE IN THE TREATMENT OF KIDNEY DISEASE
  申请人：Queen Mary and Westfield College University of London

  公开号：EP2931283A1

  公开（公告）日：2015-10-21
• [EN] ARTEMISININ AND ITS DERIVATIVES FOR USE IN THE TREATMENT OF KIDNEY DISEASE<br/>[FR] L'ARTÉMISININE ET SES DÉRIVÉS DESTINÉS À ÊTRE UTILISER DANS LE TRAITEMENT DE LA NÉPHROPATIE
  申请人：QUEEN MARY & WESTFIELD COLLEGE

  公开号：WO2014090306A1

  公开（公告）日：2014-06-19

  The present invention relates compounds according to Formula (I) wherein R1 and R2 are independently H or an optionally substituted group selected from an alkyl, a heteroalkyl, an aryl, a heteroaryl, an arylalkyl, and a heteroarylalkyl, and R3 and R4 taken together form a carbonyl (=O); or wherein R1 and R2 are independently H or an optionally substituted group selected from an alkyl, a heteroalkyl, an aryl, a heteroaryl, an arylalkyl, and a heteroarylalkyl, R3 is H and R4 is H or -OR5, wherein R5 is H or an optionally substituted group selected from an alkyl, a heteroalkyl, an aryl, a heteroaryl, an arylalkyl, and a heteroarylalkyl; or pharmaceutically acceptable salts or esters thereof, for use in the treatment of kidney disease, in particular in the treatment of acute kidney injury. The present invention also relates to methods of treatment of the same and methods of kidney transplant surgery and coronary artery bypass graft surgery using the compounds of Formula (I).