| 1297273-56-3

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 阿朴菲
• CAS: 1297273-56-3
• 化学式: C₂₇H₃₈N₂O₆S₂
• 分子量: 550.741
• InChiKey: IJKNIKRQZHAFSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  37.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  93.22
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  1-(2-甲氧苯基)哌嗪 、 在 potassium carbonate 、 sodium iodide 作用下， 以 乙腈 为溶剂， 以80%的产率得到N-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-N-(3-(N-propylnoraporphin-11-yloxy)-propyl)methanesulfonamide
  参考文献：
  名称：

  Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands

  摘要：

  A series of new aporphine analogues (aporlogues) were prepared from appropriate aporphine precursors and arylpiperazines using the Click reaction protocol. These compounds displayed good to high affinity at the D-3 receptor, low or no affinity at the D-1 and D-2 receptors. Compounds 7f and 11c stood out as the most potent at the D-3 receptor among our newly synthesized aporlogues with K-i values of 2.67 and 1.14 nM, respectively. Further assay at the 5-HT1A receptor revealed that aporlogues 7f and 11c also showed high affinity at this receptor with K-i values of 9.68 and 7.59 nM, respectively. They were 3.6- and 6.6-fold more potent at the D-3 over 5-HT1A receptors. Such D-3/5-HT1A dual property of these compounds may be useful in the treatment of several brain disorders. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.053
• 作为产物：
  描述：

  11-(3-chloropropoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline 在 三乙胺 作用下， 以 二氯甲烷 、 正丁醇 为溶剂， 反应 26.25h， 生成
  参考文献：
  名称：

  Further SAR study on 11-O-substituted aporphine analogues: Identification of highly potent dopamine D3 receptor ligands

  摘要：

  A series of new aporphine analogues (aporlogues) were prepared from appropriate aporphine precursors and arylpiperazines using the Click reaction protocol. These compounds displayed good to high affinity at the D-3 receptor, low or no affinity at the D-1 and D-2 receptors. Compounds 7f and 11c stood out as the most potent at the D-3 receptor among our newly synthesized aporlogues with K-i values of 2.67 and 1.14 nM, respectively. Further assay at the 5-HT1A receptor revealed that aporlogues 7f and 11c also showed high affinity at this receptor with K-i values of 9.68 and 7.59 nM, respectively. They were 3.6- and 6.6-fold more potent at the D-3 over 5-HT1A receptors. Such D-3/5-HT1A dual property of these compounds may be useful in the treatment of several brain disorders. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.053