1-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-5-(2-oxo-piperidin-1-yl)-pentane-2,4-dione | 223253-54-1

• 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: 1-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-5-(2-oxo-piperidin-1-yl)-pentane-2,4-dione
• 英文别名: 1-(2-oxopiperidin-1-yl)-5-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]pentane-2,4-dione
• CAS: 223253-54-1
• 化学式: C₂₃H₃₃N₃O₄
• 分子量: 415.533
• InChiKey: KBBRTQPTKZOUOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-5-(2-oxo-piperidin-1-yl)-pentane-2,4-dione 在 肼 作用下， 以 乙醇 为溶剂， 以62%的产率得到1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-2H-pyrazol-3-ylmethyl}-piperidin-2-one
  参考文献：
  名称：

  Novel heterocycles as selective α1-adrenergic receptor antagonists

  摘要：

  A novel series of aryl piperazine substituted heterocycles has been synthesized and identified as antagonists of the alpha (1a) adrenergic receptor (alpha (1a)-AR), which has been implicated in benign prostatic hyperplasia (BPH). These compounds selectively inhibit binding to the alpha (1a)-AR with K(i)s as low as 2.1 nM. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00472-8
• 作为产物：
  描述：

  2-(1-methylethoxy)phenyl-1-piperazine 在 甲醇 、 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 1-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-5-(2-oxo-piperidin-1-yl)-pentane-2,4-dione
  参考文献：
  名称：

  Novel arylpiperazines as selective α 1 -adrenergic receptor antagonists

  摘要：

  A novel series of arylpiperazines has been synthesized and identified as antagonists of alpha(1a) adrenergic receptor (alpha(1a)-AR) implicated in benign prostatic hyperplasia. These compounds selectively bind to membrane bound alpha(1a)-AR with K(i)s as low as 0.66 nM. As such, these potentially represent a viable treatment for BPH without the side effects associated with known alpha(1)-adrenergic antagonists. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00169-4

文献信息

• Novel arylpiperazines as selective α 1 -adrenergic receptor antagonists
  作者：Xiaobing Li、William V Murray、Linda Jolliffe、Virginia Pulito

  DOI：10.1016/s0960-894x(00)00169-4

  日期：2000.5

  A novel series of arylpiperazines has been synthesized and identified as antagonists of alpha(1a) adrenergic receptor (alpha(1a)-AR) implicated in benign prostatic hyperplasia. These compounds selectively bind to membrane bound alpha(1a)-AR with K(i)s as low as 0.66 nM. As such, these potentially represent a viable treatment for BPH without the side effects associated with known alpha(1)-adrenergic antagonists. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Novel heterocycles as selective α1-adrenergic receptor antagonists
  作者：Xiaobing Li、Kathleen A McCoy、William V Murray、Linda Jolliffe、Virginia Pulito

  DOI：10.1016/s0960-894x(00)00472-8

  日期：2000.10

  A novel series of aryl piperazine substituted heterocycles has been synthesized and identified as antagonists of the alpha (1a) adrenergic receptor (alpha (1a)-AR), which has been implicated in benign prostatic hyperplasia (BPH). These compounds selectively inhibit binding to the alpha (1a)-AR with K(i)s as low as 2.1 nM. (C) 2000 Elsevier Science Ltd. All rights reserved.