4-(4-isopropylbenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one | 1131992-87-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-isopropylbenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
• 英文别名: 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-[(4-propan-2-ylphenyl)methylamino]butan-1-one
• CAS: 1131992-87-4
• 化学式: C₃₁H₃₈ClN₃O
• 分子量: 504.115
• InChiKey: SCFCZEJBFLOUQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-amino-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one 、 4-异丙基苯甲醛 在 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 以81%的产率得到4-(4-isopropylbenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
  参考文献：
  名称：

  Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo analgesic activity

  摘要：

  Novel diphenylpiperazine derivatives were synthesized and evaluated for their inhibitory activity against T-type calcium channel by whole-cell patch clamp recordings on HEK293 cells. Among the test compounds, 2 and 3d were effective in decreasing the response to formalin in both the first and second phases and demonstrated antiallodynic effects in a rat model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.082