6-[4-(4-phenylpiperazin-1-yl)carbonylmethoxyphenyl]-5-methyl-1,3-dipropyl-1,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-2,4-dione | 1234708-09-8

• 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: 6-[4-(4-phenylpiperazin-1-yl)carbonylmethoxyphenyl]-5-methyl-1,3-dipropyl-1,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-2,4-dione
• 英文别名: 5-Methyl-6-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
• CAS: 1234708-09-8
• 化学式: C₃₁H₃₇N₅O₄
• 分子量: 543.666
• InChiKey: AGEXKFKWBVZZBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  78.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}-1,3-dipropyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以33%的产率得到6-[4-(4-phenylpiperazin-1-yl)carbonylmethoxyphenyl]-5-methyl-1,3-dipropyl-1,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of novel substituted 9-deazaxanthines as A2B receptor antagonists

  摘要：

  A new series of 9-deazaxanthine derivatives with various substituents at the heterocyclic system were synthesized and evaluated for their binding affinities for the four human recombinant adenosine receptors, A(1)-A(3) subtypes. A number of the 9-deazaxanthines derivatives 3a-m showed moderate-to-high affinity for hA(2B) receptors, with compound 3f showing a 32-fold selectivity for A(2B) over A(1) and a 2750-fold selectivity for A(2B) over A(2A). (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.03.011