4-(2,4-diamino-pyrimidin-5-ylmethyl)-2-methoxy-6-methyl-phenol | 63488-96-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(2,4-diamino-pyrimidin-5-ylmethyl)-2-methoxy-6-methyl-phenol
• 英文别名: 4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol；4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
• CAS: 63488-96-0
• 化学式: C₁₃H₁₆N₄O₂
• 分子量: 260.296
• InChiKey: UQIMTBOIPIUWEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• RADIOTRACER DERIVATIVES OF TRIMETHOPRIM FOR DIAGNOSITC IMAGING
  申请人：The Trustees of The University of Pennsylvania

  公开号：US20180104365A1

  公开（公告）日：2018-04-19

  The present invention provides radiolabeled trimethoprim which are useful in imaging tests such as PET scans. The compounds show robust bacterial uptake in vitro and identify infections from inflammation or tumor when administered to a subject. The compounds show rapid and sensitive detection of Ec DHFR containing tumors from control tumors and background tissue. In one aspect, a compound having the structure of formula (I) is provided or a pharmaceutically acceptable salt or prodrug thereof, wherein R is defined herein. Also provided are compositions containing these compounds, positron emission tomography reporter probe comprising these compounds, and methods of imaging a bacterial infection, tracking or monitoring bacteria, distinguishing a bacterial infection from inflammation or tumor, monitoring genetically fused protein expression, and monitoring genetically engineered cells in clinical scenarios such as immunotherapy for cancer treatment.