3-(4-苄基哌嗪)丙酸-4-叔丁酯 | 511240-23-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4-苄基哌嗪)丙酸-4-叔丁酯
• 英文名称: tert-butyl 3-(4-benzylpiperazin-1-yl)propanoate
• 英文别名: tert-butyl 4-(4-benzylpiperazin-1-yl)propionate
• CAS: 511240-23-6
• 化学式: C₁₈H₂₈N₂O₂
• 分子量: 304.433
• InChiKey: WXWDBUNINTTZPL-UHFFFAOYSA-N

物化性质

• 沸点：
  150/0.2mm
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi

反应信息

• 作为反应物：
  描述：

  3-(4-苄基哌嗪)丙酸-4-叔丁酯 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 15.0h， 生成 tert-butyl 3-(piperazin-1-yl)propanoate
  参考文献：
  名称：

  Selective Fluorescent Nonpeptidic Antagonists For Vasopressin V₂ GPCR: Application To Ligand Screening and Oligomerization Assays.

  摘要：

  A series of fluorescent benzazepine ligands for the arginine-vasopressin V-2 receptor (AVP V2R) was synthesized using "Click" chemistry. Their in vitro pharmacological profile at AVP V2R, V1aR, V1bR, and oxytocin receptor was measured by binding assay and functional studies. Compound 9p, labeled with Lissamine Rhodamine B using novel solid-phase organic tagging (SPOrT) resin, exhibited a high affinity for V2R (4.0 nM), an excellent selectivity toward V2R and antagonist properties. By changing the nature of the dye, DY647 and Lumi4-Tb probes 44 and 47 still display a high affinity for V2R (5.6 and 5.8 nM, respectively). These antagonists constitute the first high-affinity selective nonpeptidic fluorescent ligands for V2R. They enabled the development of V2R time-resolved FRET-based assay readily amenable to high-throughput screening. Taking advantage of their selectivity, these compounds were also successfully involved in the study of V1aR-V2R dimerization on cell surface.

  DOI：

  10.1021/jm3006146
• 作为产物：
  描述：

  1-苄基哌嗪 、 丙烯酸叔丁酯 在 三乙胺 作用下， 以 乙腈 为溶剂， 以83%的产率得到3-(4-苄基哌嗪)丙酸-4-叔丁酯
  参考文献：
  名称：

  Assay for benzylpiperazine and metabolites

  摘要：

  这项发明涉及检测和定量1-苄基哌嗪及其代谢物。该发明基于具有独特结合特性的新型多克隆抗体，可实现各种应用的免疫分析方法和试剂盒。

  公开号：

  US09587035B2

文献信息

• Assay for benzylpiperazine and metabolites
  申请人：Randox Laboratories Limited

  公开号：US09587035B2

  公开（公告）日：2017-03-07

  The invention relates to the detection and quantification of 1-benzylpiperazine and its metabolites. The invention is underpinned by novel polyclonal antibodies with unique binding properties which enable immunoassay methods and kits for various applications.

  这项发明涉及检测和定量1-苄基哌嗪及其代谢物。该发明基于具有独特结合特性的新型多克隆抗体，可实现各种应用的免疫分析方法和试剂盒。
• Assay for benzylpiperazines and metabolites
  申请人：Randox Laboratories Ltd.

  公开号：EP2679241B1

  公开（公告）日：2016-09-14
• US9587035B2
  申请人：——

  公开号：US9587035B2

  公开（公告）日：2017-03-07
• Selective Fluorescent Nonpeptidic Antagonists For Vasopressin V₂ GPCR: Application To Ligand Screening and Oligomerization Assays.
  作者：Stéphanie Loison、Martin Cottet、Hélène Orcel、Hélène Adihou、Rita Rahmeh、Laurent Lamarque、Eric Trinquet、Esther Kellenberger、Marcel Hibert、Thierry Durroux、Bernard Mouillac、Dominique Bonnet

  DOI：10.1021/jm3006146

  日期：2012.10.25

  A series of fluorescent benzazepine ligands for the arginine-vasopressin V-2 receptor (AVP V2R) was synthesized using "Click" chemistry. Their in vitro pharmacological profile at AVP V2R, V1aR, V1bR, and oxytocin receptor was measured by binding assay and functional studies. Compound 9p, labeled with Lissamine Rhodamine B using novel solid-phase organic tagging (SPOrT) resin, exhibited a high affinity for V2R (4.0 nM), an excellent selectivity toward V2R and antagonist properties. By changing the nature of the dye, DY647 and Lumi4-Tb probes 44 and 47 still display a high affinity for V2R (5.6 and 5.8 nM, respectively). These antagonists constitute the first high-affinity selective nonpeptidic fluorescent ligands for V2R. They enabled the development of V2R time-resolved FRET-based assay readily amenable to high-throughput screening. Taking advantage of their selectivity, these compounds were also successfully involved in the study of V1aR-V2R dimerization on cell surface.