2'-(4-Fluorophenyl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] | 488100-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2'-(4-Fluorophenyl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
• 英文别名: 2-(4-fluorophenyl)-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
• CAS: 488100-05-6
• 化学式: C₂₃H₂₆FN₃O
• 分子量: 379.477
• InChiKey: KYDXLYCZFCDKCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  28.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2'-(4-Fluorophenyl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] 在 ammonium cerium(IV) nitrate 作用下， 以 水 、 乙腈 为溶剂， 反应 16.0h， 以50%的产率得到2'-(4-Fluorophenyl)-1-propylspiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
  参考文献：
  名称：

  New spiro-piperidines as 5-HT2B receptor antagonists

  摘要：

  A functional screening highlighted a series of spiro-piperidines as 5-HT2B receptor antagonists. Preliminary structure-activity relationship has been explored driving to potent antagonists (IC50 = 1 nM) and indicating directions for further explorations. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.068
• 作为产物：
  描述：

  (E)-1-(4-fluorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one 在 一水合肼 作用下， 以 甲醇 为溶剂， 生成 2'-(4-Fluorophenyl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
  参考文献：
  名称：

  New spiro-piperidines as 5-HT2B receptor antagonists

  摘要：

  A functional screening highlighted a series of spiro-piperidines as 5-HT2B receptor antagonists. Preliminary structure-activity relationship has been explored driving to potent antagonists (IC50 = 1 nM) and indicating directions for further explorations. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.068

文献信息

• New spiro-piperidines as 5-HT2B receptor antagonists
  作者：Hugues Bienaymé、Laurent Chêne、Serge Grisoni、Antonio Grondin、El-Bachir Kaloun、Stéphane Poigny、Houcine Rahali、Eric Tam

  DOI：10.1016/j.bmcl.2006.06.068

  日期：2006.9

  A functional screening highlighted a series of spiro-piperidines as 5-HT2B receptor antagonists. Preliminary structure-activity relationship has been explored driving to potent antagonists (IC50 = 1 nM) and indicating directions for further explorations. (c) 2006 Elsevier Ltd. All rights reserved.