8-chloro-11-(4-ethylpiperazin-1-yl)-dibenzo[b,f][1,4]oxazepine

• 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: 8-chloro-11-(4-ethylpiperazin-1-yl)-dibenzo[b,f][1,4]oxazepine
• 英文别名: 3-Chloro-6-(4-ethylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
• 化学式: C₁₉H₂₀ClN₃O
• 分子量: 341.84
• InChiKey: WDYMODAYNROCMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  28.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻氟苯甲酸 在 sodium hydroxide 、 氯化亚砜 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 9.0h， 生成 8-chloro-11-(4-ethylpiperazin-1-yl)-dibenzo[b,f][1,4]oxazepine
  参考文献：
  名称：

  Characterization of the Histamine H₄ Receptor Binding Site. Part 1. Synthesis and Pharmacological Evaluation of Dibenzodiazepine Derivatives

  摘要：

  A series of dibenzodiazepine derivatives was synthesized to probe the binding site of the recently discovered histamine H-4 receptor (H4R). Optimization of the lead structure clozapine (2) resulted in (E)-7-chloro-11-(4-methylpiperazin-l-yl) dibenzo[b, f][1,4] oxazepine (7j), a potent H4R agonist (H4R, pK(i) = 7.6). Pharmacological data suggests that the series of nonimidazole compounds can be used to describe the orthosteric binding site of the H4R because both 2 and 7j displace [H-3] histamine in a competitive manner. Furthermore, it is demonstrated that the effects of 7j are competitively antagonized by the selective H4R antagonist JNJ 7777120 (1), indicating considerable overlap of their binding sites. On the basis of the derived structure-activity relationships and additional pharmacological results, a pharmacophore model was constructed, which will be the premise for the design of novel H4R ligands.

  DOI：

  10.1021/jm051008s

文献信息

• Atypical antipsychotic agents having low affinity for the D2 Receptor
  申请人：NeuroMolecular, Inc.

  公开号：US20030135042A1

  公开（公告）日：2003-07-17

  The present invention provides novel compounds of Formula I: 1 The invention further relates to pharmaceutical compositions comprising compounds of Formula I and to methods of using compounds of Formula I to treat neuropsychiatric disorders (e.g., psychosis, depression, schizophrenia).

  本发明提供了一种新的化合物，其化学式为I：1。该发明还涉及包含化合物I的药物组合物，以及使用化合物I治疗神经精神障碍（例如，精神病、抑郁症、精神分裂症）的方法。
• Atypical antipsychotic agents having low affinity for the D2 receptor
  申请人：Kapur Shitij

  公开号：US20060166965A1

  公开（公告）日：2006-07-27

  The present invention provides novel compounds of Formula I: The invention further relates to pharmaceutical compositions comprising compounds of Formula I and to methods of using compounds of Formula I to treat neuropsychiatric disorders (e.g., psychosis, depression, schizophrenia).

  本发明提供了式I的新化合物：本发明还涉及包含式I化合物的制药组合物，并涉及使用式I化合物治疗神经精神障碍（例如精神病、抑郁症、精神分裂症）的方法。
• 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine of atypical anti-psychotic activity and having a low affinity for the dopamine D2 receptor
  申请人：Neuromolecular, Inc.

  公开号：EP1593676A1

  公开（公告）日：2005-11-09

  The present invention provides a compound having the structure: (A-7) = 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine, having atypical anti-psychotic activity and a low affinity for the D2 receptor.

  本发明提供了一种具有以下结构的化合物： (A-7) = 8-氯-11-(4-(2'-羟乙基)哌嗪-1-基)-二苯并[b,f][1,4]氧氮杂卓，具有非典型抗精神病活性，对 D2 受体的亲和力较低。
• 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR
  申请人：Neuromolecular, Inc.

  公开号：EP1406881A1

  公开（公告）日：2004-04-14
• US6890919B2
  申请人：——

  公开号：US6890919B2

  公开（公告）日：2005-05-10