(5aS,6S)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfonyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione

• 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: (5aS,6S)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfonyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
• 化学式: C₁₅H₂₀N₂O₈S₂
• 分子量: 420.5
• InChiKey: ANGPVWCLSDNVAS-WZWWUGBPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  166
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• USE OF SS'-DIMETHYL-GLIOTOXIN AS DIAGNOSTIC MARKER OF PATHOLOGIES CAUSED BY FUNGI PRODUCING GLIOTOXIN OR DERIVATIVES OF GLIOTOXIN
  申请人：Universidad De Zaragoza

  公开号：EP2705362B1

  公开（公告）日：2016-02-10
• USE OF SS'-DIMETHYL-GLIOTOXIN AS DIAGNOSTIC MARKER OF PATHOLOGIES CAUSED BY GLIOTOXIN-PRODUCING FUNGI OR THEIR DERIVATIVES
  申请人：Pardo Jimeno Julian

  公开号：US20140155341A1

  公开（公告）日：2014-06-05

  The present invention relates to an in vitro method of diagnosis, prognosis and/or monitoring of pathologies caused by gliotoxin-producing fungi or their derivatives, characterized in that it is based on the detection of SS′-dimethyl-gliotoxin in a biological sample. Also relates to the use of the SS′-dimethyl-gliotoxin as marker for the diagnosis, prognosis and/or monitoring of pathologies caused by gliotoxin-producing fungi or their derivatives in a subject.