7-[3-(4-phenyl-1-piperazinyl)propoxy]-2H1-benzopyran-2-one

• 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: 7-[3-(4-phenyl-1-piperazinyl)propoxy]-2H1-benzopyran-2-one
• 英文别名: 7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-one；7-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
• 化学式: C₂₂H₂₄N₂O₃
• 分子量: 364.444
• InChiKey: MULLDMIPFVHJIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-苯基哌嗪 在 sodium hydroxide 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 73.0h， 生成 7-[3-(4-phenyl-1-piperazinyl)propoxy]-2H1-benzopyran-2-one
  参考文献：
  名称：

  Phenylpiperazine derivatives with strong affinity for 5HT1A, D2A and D3 receptors

  摘要：

  Four 7-[3-(4-phenyl-1-piperazinyl)propoxy]coumarins were synthesized. The affinities of these compounds for DA (D-2A, D-3) and 5HT(1A) receptors were evaluated for their ability to displace [H-3]-raclopride and [H-3]-8-OH-DPAT respectively from their specific binding sites. The affinities of the target compounds were all in the nanomolar range and followed the order 5-HT1A > D-2 > D-3 (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00646-5

文献信息

• DEWALD, HORACE A.;WISE, LAWRENCE D.;HEFFNER, THOMAS G.
  作者：DEWALD, HORACE A.、WISE, LAWRENCE D.、HEFFNER, THOMAS G.

  DOI：——

  日期：——
• Aminoalkoxybenzopyranones and processes for the production thereof
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0175541B1

  公开（公告）日：1989-02-22
• US4701456A
  申请人：——

  公开号：US4701456A

  公开（公告）日：1987-10-20
• Phenylpiperazine derivatives with strong affinity for 5HT1A, D2A and D3 receptors
  作者：Carmen Terán、Lourdes Santana、Eugenio Uriarte、Yagamare Fall、Lena Unelius、Bo-Ragnar Tolf

  DOI：10.1016/s0960-894x(98)00646-5

  日期：1998.12

  Four 7-[3-(4-phenyl-1-piperazinyl)propoxy]coumarins were synthesized. The affinities of these compounds for DA (D-2A, D-3) and 5HT(1A) receptors were evaluated for their ability to displace [H-3]-raclopride and [H-3]-8-OH-DPAT respectively from their specific binding sites. The affinities of the target compounds were all in the nanomolar range and followed the order 5-HT1A > D-2 > D-3 (C) 1998 Elsevier Science Ltd. All rights reserved.