9-{3-[4-(3-chloro-phenyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-f]purine-2,4-dione | 60987-60-2

• 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: 9-{3-[4-(3-chloro-phenyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-f]purine-2,4-dione
• 英文别名: 9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• CAS: 60987-60-2
• 化学式: C₂₃H₃₀ClN₇O₂
• 分子量: 471.99
• InChiKey: PWDPNTLSCDFGSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  8-(3-Bromo-propyl)-1,3-dimethyl-5,6,7,8-tetrahydro-1H-1,3,4b,8,9-pentaaza-fluorene-2,4-dione 、 1-(3-氯苯基)哌嗪 在 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 9-{3-[4-(3-chloro-phenyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-f]purine-2,4-dione
  参考文献：
  名称：

  New 9- or 10-arylpiperazinoalkyl substituted pyrimido- or diazepino[2,1-f]purines with partial or full 5-HT1A agonistic activity

  摘要：

  5HT(1A) and 5HT(2A) receptor affinities of several gamma-(3'-chloro- or 2'-methoxyphenyl)-piperazinopropyl derivatives of pyrimido[2,1-f]purines or 1,3-diazepino[2,1-f]purines are reported. Some behavioral models demonstrated that 1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-1-piperazinyl]propyl}-2,4-dioxo-1,3,6,7,8,9-hexahydropyrimido[2,1-f]purine 5b and 1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-1-piperazinyl]propyl}-2,4,8-trioxo-1,3-dihydro-9H-pyrimido[2,1-f]purine 8b, may be classified as partial agonist and a full agonist, respectively of pre- and post-synaptic 5HT(1A) receptors. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80050-6

文献信息

• New 9- or 10-arylpiperazinoalkyl substituted pyrimido- or diazepino[2,1-f]purines with partial or full 5-HT1A agonistic activity
  作者：Maciej Pawlowski、Jacek Katlabi、Anna Drabczynska、Beata Duszynska、Sijka Charakchieva-Minol、Anna Deren-Wesolek、Ewa Tatarczynska、Ewa Chojnacka-Wójcik、Maria J Mokrosz、Andrzej J Bojarski

  DOI：10.1016/s0223-5234(99)80050-6

  日期：1999.2

  5HT(1A) and 5HT(2A) receptor affinities of several gamma-(3'-chloro- or 2'-methoxyphenyl)-piperazinopropyl derivatives of pyrimido[2,1-f]purines or 1,3-diazepino[2,1-f]purines are reported. Some behavioral models demonstrated that 1,3-dimethyl-9-3-[4-(2'-methoxyphenyl)-1-piperazinyl]propyl}-2,4-dioxo-1,3,6,7,8,9-hexahydropyrimido[2,1-f]purine 5b and 1,3-dimethyl-9-3-[4-(2'-methoxyphenyl)-1-piperazinyl]propyl}-2,4,8-trioxo-1,3-dihydro-9H-pyrimido[2,1-f]purine 8b, may be classified as partial agonist and a full agonist, respectively of pre- and post-synaptic 5HT(1A) receptors. (C) Elsevier, Paris.