5-OHMe-Ur | 22164-16-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 5-OHMe-Ur
• 英文别名: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-purin-9-ium-6-one
• CAS: 22164-16-5
• 化学式: C11H16N5O5+
• 分子量: 298.28
• InChiKey: OGHAROSJZRTIOK-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  21
• 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：
  146
• 氢给体数：
  5
• 氢受体数：
  5

文献信息

• Profiling chemically modified DNA/RNA units for disease and cancer diagnosis
  申请人：The Research Foundation for The State University of New York

  公开号：US11339441B2

  公开（公告）日：2022-05-24

  The present invention relates to high-throughput methods comprising direct infusion electrospray ionization mass spectrometry (ESI-MS), multistep tandem mass spectrometry (MSn), consecutive reaction monitoring (CRM), ion mobility spectrometry mass spectrometry (IMS-MS), high-resolution MS, and IMS-MS, for genome-wide (whole cell or tissue) profiling of DNA and RNA nucleotides/nucleosides having a wide variety of variant structural modifications. In particular, these methods are contemplated for providing a specific profile of variant DNA and/or RNA chemically modified nucleic acids (i.e. structures) associated with specific medical conditions. Medical conditions may include, but are not limited to: cancer; including prostate, lung, uterus, larynx, ovary, breast, kidney, and many other types of cancers; specific stages of cancer; bacterial infections; viral infections; genetic and metabolic disorders; and any condition involving changes in DNA and/or RNA structural modifications.

  本发明涉及高通量方法，包括直接注入电喷雾离子化质谱（ESI-MS）、多步串联质谱（MSn）、连续反应监测（CRM）、离子迁移谱质谱（IMS-MS）、高分辨率 MS 和 IMS-MS，用于对具有多种变异结构修饰的 DNA 和 RNA 核苷酸/核苷进行全基因组（全细胞或组织）分析。特别是，这些方法可用于提供与特定病症相关的变异 DNA 和/或 RNA 化学修饰核酸（即结构）的特定概况。病症可包括但不限于：癌症；包括前列腺癌、肺癌、子宫癌、喉癌、卵巢癌、乳腺癌、肾癌和许多其他类型的癌症；癌症的特定阶段；细菌感染；病毒感染；遗传和代谢紊乱；以及任何涉及 DNA 和/或 RNA 结构修饰变化的病症。
• PROFILING CHEMICALLY MODIFIED DNA/RNA UNITS FOR DISEASE AND CANCER DIAGNOSIS
  申请人：THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK

  公开号：US20170044619A1

  公开（公告）日：2017-02-16

  The present invention relates to high-throughput methods comprising direct infusion electrospray ionization mass spectrometry (ESI-MS), multistep tandem mass spectrometry (MS n ), consecutive reaction monitoring (CRM), ion mobility spectrometry mass spectrometry (IMS-MS), high-resolution MS, and IMS-MS, for genome-wide (whole cell or tissue) profiling of DNA and RNA nucleotides/nucleosides having a wide variety of variant structural modifications. In particular, these methods are contemplated for providing a specific profile of variant DNA and/or RNA chemically modified nucleic acids (i.e. structures) associated with specific medical conditions. Medical conditions may include, but are not limited to: cancer; including prostate, lung, uterus, larynx, ovary, breast, kidney, and many other types of cancers; specific stages of cancer; bacterial infections; viral infections; genetic and metabolic disorders; and any condition involving changes in DNA and/or RNA structural modifications.