[(5R)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl methanesulfonate | 1020192-51-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(5R)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl methanesulfonate
• CAS: 1020192-51-1
• 化学式: C₁₁H₁₂N₂O₆S
• 分子量: 300.292
• InChiKey: FUBPQWOYVSDUHV-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 [(5R)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl methanesulfonate 以 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-2-(4-nitrophenyl)-5-(pyrrolidin-1-ylmethyl)-4,5-dihydrooxazole
  参考文献：
  名称：

  Constrained Analogues of Procaine as Novel Small Molecule Inhibitors of DNA Methyltransferase-1

  摘要：

  Constrained analogues of procaine were synthesized, and their inhibiting activity against DNMT1 was tested. Among them, the most potent compound, derivative 3b, was also able to induce a recognizable demethylation of chromosomal satellite repeats in HL60 human myeloid leukemia cells and thus represents a lead compound for the development of a novel class of non-nucleoside DNMT1 inhibitors.

  DOI：

  10.1021/jm7015705
• 作为产物：
  描述：

  (R)-(2-(4-nitrophenyl)-4,5-dihydrooxazol-5-yl)methanol 、 甲基磺酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 [(5R)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl methanesulfonate
  参考文献：
  名称：

  Constrained Analogues of Procaine as Novel Small Molecule Inhibitors of DNA Methyltransferase-1

  摘要：

  Constrained analogues of procaine were synthesized, and their inhibiting activity against DNMT1 was tested. Among them, the most potent compound, derivative 3b, was also able to induce a recognizable demethylation of chromosomal satellite repeats in HL60 human myeloid leukemia cells and thus represents a lead compound for the development of a novel class of non-nucleoside DNMT1 inhibitors.

  DOI：

  10.1021/jm7015705