1-benzyl-3-hydroxy-pyridinium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-benzyl-3-hydroxy-pyridinium
• 英文别名: N-Benzyl-3-hydroxy-pyridinium；1-Benzylpyridin-1-ium-3-ol
• 化学式: C₁₂H₁₂NO
• 分子量: 186.233
• InChiKey: HYGDJRVXHVXONK-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  24.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-benzyl-3-hydroxy-pyridinium 、 以 乙腈 为溶剂， 生成 3'-O-benzoyl-5-fluoro-2'-deoxyuridin-5'-yl N-benzylpyridinium-3-yl phosphate
  参考文献：
  名称：

  New antiglioma zwitterionic pronucleotides with an FdUMP framework

  摘要：

  We have designed and synthesized new 5-fluoro-2'-deoxyuridine 5'-phosphate pronucleotides which can function as potential agents against the glioblastoma multiforme tumor. Their anti-malignant potency has been tested against T98G, U-118 MG, U-87 MG gliomas, HeLa, and Caco-2 cancer cell lines, using MRC-5 healthy cells as a reference. Five of the sixteen compounds (4c, 4f-i) exhibited significant anticancer potency and high selectivity indices (SI 12-66). It is likely that these zwitterionic pronucleotides may function in a similar manner to zwitterionic phospholipids, by inducing cell membrane charge disorder, making the cell permeable to bioactive agents. The most promising therapeutic pronucleotides 4c, 4f-h, have high intestinal-blood uptake potency (Caco-2 cell line), and may be considered as potential, orally administrated, anticancer drugs. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.12.070

文献信息

• Tricyclic compounds and their use in the treatment of cancer
  申请人：Arnér Elias Set Jenö

  公开号：US10881653B2

  公开（公告）日：2021-01-05

  There is provided compounds of formula (I), or pharmaceutically-acceptable salts thereof, wherein X, Y, Z, R1 and R2 have meanings provided in the description, which compounds are useful in the treatment of cancers.

  提供了式 (I) 的化合物或其药学上可接受的盐类，其中 X、Y、Z、R1 和 R2 的含义见说明，这些化合物可用于治疗癌症。
• TRICYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER
  申请人：Arnér Elias Set Jenö

  公开号：US20200113889A1

  公开（公告）日：2020-04-16

  There is provided compounds of formula (I), or pharmaceutically-acceptable salts thereof, wherein X, Y, Z, R 1 and R 2 have meanings provided in the description, which compounds are useful in the treatment of cancers.
• US7488572B2
  申请人：——

  公开号：US7488572B2

  公开（公告）日：2009-02-10