9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9-methyl-1H-purin-9-ium-6-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9-methyl-1H-purin-9-ium-6-one
• 化学式: C11H15N4O5+
• 分子量: 283.26
• InChiKey: JZJLYBFRSAKBFD-MIKDANLHSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• METABOLITE BIOMARKERS FOR THE DETECTION OF LIVER CANCER
  申请人：Purdue Research Foundation

  公开号：US20150133331A1

  公开（公告）日：2015-05-14

  Methods for the detection and screening of hepatocellular carcinoma (HCC) patients and for the monitoring of HCC treatment using a panel or panels of small molecule metabolite biomarkers are disclosed. In other aspects, methods for detection and screening for the progression of high-risk conditions, such as HCV infections, to HCC and to monitoring treatment using a panel or panels of small molecule metabolite biomarkers are disclosed. The biomarkers are sensitive and specific for the detection of HCC, and can also be used to classify HCV infections that are regarded as precursors of HCC.
• US9739780B2
  申请人：——

  公开号：US9739780B2

  公开（公告）日：2017-08-22
• [EN] METABOLITE BIOMARKERS FOR THE DETECTION OF LIVER CANCER<br/>[FR] BIOMARQUEURS MÉTABOLIQUES POUR LA DÉTECTION DU CANCER DU FOIE
  申请人：PURDUE RESEARCH FOUNDATION

  公开号：WO2013177222A1

  公开（公告）日：2013-11-28

  Methods for the detection and screening of hepatocellular carcinoma (HCC) patients and for the monitoring of HCC treatment using a panel or panels of small molecule metabolite biomarkers are disclosed. In other aspects, methods for detection and screening for the progression of high-risk conditions, such as HCV infections, to HCC and to monitoring treatment using a panel or panels of small molecule metabolite biomarkers are disclosed. The biomarkers are sensitive and specific for the detection of HCC, and can also be used to classify HCV infections that are regarded as precursors of HCC.