4-(4-Chlorophenyl)-1-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)-4-piperidinol | 5499-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 4-(4-Chlorophenyl)-1-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)-4-piperidinol
• 英文别名: 4-(4-Chlorophenyl)-1-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)4-piperidinol；4-(4-Chlorophenyl)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-4-ol
• CAS: 5499-80-9
• 化学式: C₂₈H₃₁ClN₂O
• 分子量: 447.02
• InChiKey: JGLRHAVXORRCMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  亚氨基二苄 在 sodium hydride 、 sodium carbonate 、 sodium iodide 作用下， 以 二丁醚 、 乙腈 为溶剂， 160.0 ℃ 、1.72 MPa 条件下， 反应 3.75h， 生成 4-(4-Chlorophenyl)-1-(3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-1-propyl)-4-piperidinol
  参考文献：
  名称：

  Synthesis and pharmacological characterization of novel inverse agonists acting on the viral-encoded chemokine receptor US28

  摘要：

  G-protein coupled receptors encoded by viruses represent an unexplored class of potential drug targets. In this study, we describe the synthesis and pharmacological characterization of the first class of inverse agonists acting on the HCMV-encoded receptor US28. It is shown that replacement of the 4-hydroxy group of lead compound I with a methylamine group results in a significant 6-fold increase in affinity. Interestingly, increasing the rigidity of the spacer by the introduction of a double bond also leads to a significant increase in binding affinity compared to 1. These novel inverse agonists serve as valuable tools to elucidate the role of constitutive signaling in the pathogenesis of viral infection and may have therapeutic potential as leads for new antiviral drugs. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.06.054

文献信息

• Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis
  申请人：——

  公开号：US20020045610A1

  公开（公告）日：2002-04-18

  The present invention relates to the use of N-substituted azaheterocyclic compounds or salts thereof, for the treatment of conditions related to angiogenesis.

  本发明涉及使用N-取代的氮杂环化合物或其盐，用于治疗与血管生成有关的疾病。
• NOVEL HETEROCYCLIC COMPOUNDS
  申请人：NOVO NORDISK A/S

  公开号：EP0820451B1

  公开（公告）日：2003-01-15
• USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS
  申请人：NOVO NORDISK A/S

  公开号：EP1135129A1

  公开（公告）日：2001-09-26
• Methods for treating sleep disorders
  申请人：Solomon Michael

  公开号：US20070066570A1

  公开（公告）日：2007-03-22

  A method of treating a subject for a sleeping disorder, comprising administering to a subject in need of treatment for a sleeping disorder an effective amount of an N-substituted azaheterocyclic compound as described herein.
• US6071901A
  申请人：——

  公开号：US6071901A

  公开（公告）日：2000-06-06