6-amino-1H-pyrimidin-2-one;(2S,3R)-2,3,4-trihydroxybutanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-amino-1H-pyrimidin-2-one;(2S,3R)-2,3,4-trihydroxybutanoic acid
• 化学式: C8H13N3O6
• 分子量: 247.21
• InChiKey: IAZGRMMMZQDQGV-RCROYASPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.86
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  7

文献信息

• MEANS AND METHODS FOR ASSESSING INCREASED PEROXISOMAL PROLIFERATION
  申请人：BASF SE

  公开号：US20140186964A1

  公开（公告）日：2014-07-03

  The present invention pertains to the field of toxicological assessments for risk stratification of chemical compounds. Specifically, it relates to a method for diagnosing increased peroxisomal proliferation. It also relates to a method of determining whether a compound is capable of inducing such peroxisomal proliferation in a subject and to a method of identifying a drug for treating increased peroxisomal proliferation. Furthermore, the present invention relates to a data collection comprising characteristic values of at least five metabolites, a data storage medium comprising said data collection, and a system and a device for diagnosing increased peroxisomal proliferation. Finally, the present invention pertains to the use of a group of metabolites or means for the determination thereof for the manufacture of a diagnostic device or composition for diagnosing increased peroxisomal proliferation in a subject.
• US9304136B2
  申请人：——

  公开号：US9304136B2

  公开（公告）日：2016-04-05