4-amino-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one | 1131992-95-4

• 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-amino-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
• 英文别名: 4-amino-1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butan-1-one
• CAS: 1131992-95-4
• 化学式: C₂₁H₂₆ClN₃O
• 分子量: 371.91
• InChiKey: MPEXHDSIFAAJAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  49.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  tert-butyl 4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-oxobutylcarbamate 在 盐酸 作用下， 以 1,4-二氧六环 、 氯仿 为溶剂， 反应 3.0h， 以100%的产率得到4-amino-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION COMPRISING THE SAME FOR INHIBITING PAIN
  [FR] NOUVEAUX COMPOSÉS, PROCÉDÉ DE PRÉPARATION DE CEUX-CI ET COMPOSITION CONTENANT CEUX-CI DESTINÉE À INHIBER LA DOULEUR

  摘要：

  公开号：

  WO2009035307A3

文献信息

• T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF
  申请人：Praxis Precision Medicines, inc.

  公开号：US20210128537A1

  公开（公告）日：2021-05-06

  Described herein are compounds useful for preventing and/or treating a disease or condition relating to aberrant function of a T-type calcium channel, such as epilepsy and epilepsy syndromes (e.g., absence seizures, juvenile myoclonic epilepsy, or a genetic epilepsy) and mood disorders. The present invention further comprises methods for modulating the function of a T-type calcium channel.
• [EN] T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE CANAL CALCIQUE DE TYPE T ET LEURS PROCÉDÉS D'UTILISATION
  申请人：PRAXIS PREC MEDICINES INC

  公开号：WO2018118101A1

  公开（公告）日：2018-06-28

  Described herein are compounds useful for preventing and/or treating a disease or condition relating to aberrant function of a T-type calcium channel, such as epilepsy and epilepsy syndromes (e.g., absence seizures, juvenile myoclonic epilepsy, or a genetic epilepsy) and mood disorders. The present invention further comprises methods for modulating the function of a T-type calcium channel.
• [EN] NOVEL COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION COMPRISING THE SAME FOR INHIBITING PAIN<br/>[FR] NOUVEAUX COMPOSÉS, PROCÉDÉ DE PRÉPARATION DE CEUX-CI ET COMPOSITION CONTENANT CEUX-CI DESTINÉE À INHIBER LA DOULEUR
  申请人：UNIV EWHA IND COLLABORATION

  公开号：WO2009035307A3

  公开（公告）日：2009-05-07
• Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo analgesic activity
  作者：Yoo Lim Kam、Hee-Kyung Rhee、Hyewhon Rhim、Seung Keun Back、Heung Sik Na、Hea-Young Park Choo

  DOI：10.1016/j.bmc.2010.06.082

  日期：2010.8

  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.