8-(3-Chloro-propyl)-1,3-dimethyl-5,6-dihydro-1H,8H-1,3,4b,8,9-pentaaza-fluorene-2,4,7-trione | 137881-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 8-(3-Chloro-propyl)-1,3-dimethyl-5,6-dihydro-1H,8H-1,3,4b,8,9-pentaaza-fluorene-2,4,7-trione
• 英文别名: 9-(3-Chloropropyl)-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione
• CAS: 137881-70-0
• 化学式: C₁₃H₁₆ClN₅O₃
• 分子量: 325.755
• InChiKey: GUNRMVPQZSJDRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  78.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-(3-Chloro-propyl)-1,3-dimethyl-5,6-dihydro-1H,8H-1,3,4b,8,9-pentaaza-fluorene-2,4,7-trione 、 1-(3-氯苯基)哌嗪 以 乙二醇甲醚 为溶剂， 反应 9.0h， 以64%的产率得到8-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-5,6-dihydro-1H,8H-1,3,4b,8,9-pentaaza-fluorene-2,4,7-trione
  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

• Pawlowski, Maciej; Drabczynska, anna; Gorzyca, Maria, Archiv der Pharmazie, 1990, vol. 323, # 9, p. 732
  作者：Pawlowski, Maciej、Drabczynska, anna、Gorzyca, Maria、Malec, Danuta、Modzelewski, Jerzy

  DOI：——

  日期：——
• A new putative 5-HT1A receptor antagonist of the 1-arylpiperazine class of ligands
  作者：E Chojnacka-Wójcik、A Kłodzińska、A Drabczyńska、M Pawłowski、S Charakchieva-Minol、G Chłoń、M Gorczyca

  DOI：10.1016/0223-5234(96)88273-0

  日期：1995.1

  5-HT1A and 5-HT2A receptor affinities of several omega-alkyl-1-arylpiperazines containing a terminal pyrimidopurine or 1,3-diazepinopurine ring system are reported. Several behavioral models demonstrated that 1,3-dimethyl-9-[3-(4-phenyl-1-piperazinyl)propyl]-2,4,8-trioxo-1,3,9-trihydropyrimidino[2,1-f]purine 8 and its analogs 5 and 6 may be classified as 5-HT1A postsynaptic antagonists, whereas 7, 9 and 10 are partial agonists of 5-HT1A receptors.