3-benzyl-1-([4-(2-(methoxymethyl)pyrimidin-4-yl)piperazin-1-yl]sulfonyl)imidazolidine-2,4-dione | 1035587-75-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-benzyl-1-([4-(2-(methoxymethyl)pyrimidin-4-yl)piperazin-1-yl]sulfonyl)imidazolidine-2,4-dione
• 英文别名: 3-Benzyl-1-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylimidazolidine-2,4-dione
• CAS: 1035587-75-7
• 化学式: C₂₀H₂₄N₆O₅S
• 分子量: 460.514
• InChiKey: JSINWTUGGVIGPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-benzyl-1-([4-(2-(methoxymethyl)pyrimidin-4-yl)piperazin-1-yl]sulfonyl)imidazolidine-2,4-dione 在 三氯化铝 作用下， 以 甲苯 为溶剂， 反应 15.0h， 以41%的产率得到1-[4-(2-(hydroxymethyl)pyrimidin-4-yl)piperazine-1-sulfonyl]imidazolidine-2,4-dione
  参考文献：
  名称：

  Synthesis and Biological Evaluations of New Pyrrolo[2,3-b]pyrimidine as SDI Analogs

  摘要：

  The synthesis of new pyrrolo[2,3-d]pyrimidines variously substituted on the N-1 and C-2 atoms are described. Access to these compounds, which have modest activity compared with the first inhibitor SDI, involves, as the key step, the formation of a pyrrolopyrimidine skeleton from the 5-amino-2-(methoxymethyl)pyrimidine.

  DOI：

  10.3987/com-07-11302
• 作为产物：
  描述：

  3-benzyl-1-(chlorosulfonyl)imidazolidine-2,4-dione 、 2-(methoxymethyl)-4-(piperazin-1-yl)pyrimidine 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 以24%的产率得到3-benzyl-1-([4-(2-(methoxymethyl)pyrimidin-4-yl)piperazin-1-yl]sulfonyl)imidazolidine-2,4-dione
  参考文献：
  名称：

  Synthesis and Biological Evaluations of New Pyrrolo[2,3-b]pyrimidine as SDI Analogs

  摘要：

  The synthesis of new pyrrolo[2,3-d]pyrimidines variously substituted on the N-1 and C-2 atoms are described. Access to these compounds, which have modest activity compared with the first inhibitor SDI, involves, as the key step, the formation of a pyrrolopyrimidine skeleton from the 5-amino-2-(methoxymethyl)pyrimidine.

  DOI：

  10.3987/com-07-11302

文献信息

• Synthesis and Biological Evaluations of New Pyrrolo[2,3-b]pyrimidine as SDI Analogs
  作者：Jérôme Guillard、Marie-Claude Viaud-Massuard

  DOI：10.3987/com-07-11302

  日期：——

  The synthesis of new pyrrolo[2,3-d]pyrimidines variously substituted on the N-1 and C-2 atoms are described. Access to these compounds, which have modest activity compared with the first inhibitor SDI, involves, as the key step, the formation of a pyrrolopyrimidine skeleton from the 5-amino-2-(methoxymethyl)pyrimidine.