3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione | 650616-98-1

• 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-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
• 英文别名: 2,5-Pyrrolidinedione, 3-phenyl-1-[3-(4-phenyl-1-piperazinyl)propyl]-
• CAS: 650616-98-1
• 化学式: C₂₃H₂₇N₃O₂
• 分子量: 377.486
• InChiKey: MSHUPYLQZBJGOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  43.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione 在 盐酸 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Obniska, Jolanta; Chlebek, Iwona; Pichor, Joanna, Acta poloniae pharmaceutica, 2009, vol. 66, # 6, p. 639 - 647

  摘要：

  DOI：
• 作为产物：
  描述：

  N-苯基哌嗪 在 sodium 、 potassium carbonate 、 正丁醇 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
  参考文献：
  名称：

  Synthesis, 5-HT1A and 5-HT2A receptor affinity of new 1-phenylpiperazinylpropyl derivatives of purine-2,6- and pyrrolidine-2,5-diones

  摘要：

  Two series of 1-phenylpiperazinylpropyl derivatives 10, 11, 16, 17 and 19-24, structurally related to previously described 5-HT1A or 5-HT2A ligands 4 and 1, respectively, were synthesized and their binding properties were determined. Structural modifications which involved 1,3-diazepine ring opening in 4 (compounds 10, 11, 15, 16) and replacement of spiroalkyl moiety in 1 by aryl substituent (19-24) did not improve binding affinity and selectivity of the tested compounds. The results showed, however, that the diazepine ring present in 4 or spiroalkyl ring in 1 are important for high 5-HT1A or 5-HT2A binding affinity and selectivity of these compounds. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(00)00069-0

文献信息

• Synthesis, 5-HT1A and 5-HT2A receptor affinity of new 1-phenylpiperazinylpropyl derivatives of purine-2,6- and pyrrolidine-2,5-diones
  作者：Maciej Pawłowski、Grażyna Chłoń、Jolanta Obniska、Alfred Zejc、Sijka Charakchieva-Minol、Maria J Mokrosz

  DOI：10.1016/s0014-827x(00)00069-0

  日期：2000.7

  Two series of 1-phenylpiperazinylpropyl derivatives 10, 11, 16, 17 and 19-24, structurally related to previously described 5-HT1A or 5-HT2A ligands 4 and 1, respectively, were synthesized and their binding properties were determined. Structural modifications which involved 1,3-diazepine ring opening in 4 (compounds 10, 11, 15, 16) and replacement of spiroalkyl moiety in 1 by aryl substituent (19-24) did not improve binding affinity and selectivity of the tested compounds. The results showed, however, that the diazepine ring present in 4 or spiroalkyl ring in 1 are important for high 5-HT1A or 5-HT2A binding affinity and selectivity of these compounds. (C) 2000 Elsevier Science S.A. All rights reserved.
• Obniska, Jolanta; Chlebek, Iwona; Pichor, Joanna, Acta poloniae pharmaceutica, 2009, vol. 66, # 6, p. 639 - 647
  作者：Obniska, Jolanta、Chlebek, Iwona、Pichor, Joanna、Kopytko, Maciej、Kaminski, Krzysztof

  DOI：——

  日期：——