7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one | 200195-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
• 英文别名: 7-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-4H-1,4-benzoxazin-3-one；7-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
• CAS: 200195-01-3
• 化学式: C₁₉H₂₀ClN₃O₂
• 分子量: 357.84
• InChiKey: UFFHNEZNXKJHFB-UHFFFAOYSA-N

物化性质

• 熔点：
  234-236 °C
• 沸点：
  563.9±50.0 °C(Predicted)
• 密度：
  1.308±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氧代-3,4-二氢-2H-苯并[1,4]噁嗪-7-甲醛 在 吡啶 、 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 6.0h， 生成 7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
  参考文献：
  名称：

  A Series of 6- and 7-Piperazinyl- and -Piperidinylmethylbenzoxazinones with Dopamine D4 Antagonist Activity:  Discovery of a Potential Atypical Antipsychotic Agent

  摘要：

  As part of a program to develop dopamine D4 antagonists for the treatment of schizophrenia, we discovered a series of 6- and 7-(phenylpiperazinyl)- and -(phenylpiperidinyl)methylbenzoxazinones through mass screening of our compound library. A structure-activity relationship SAR study was carried out involving substituents on the phenyl ring, and several selective D4 antagonists were identified. The 7-substituted benzoxazinones showed more activity in neurochemical and behavioral tests than the 6-substituted series. One of the most potent and selective compounds (26) was found to have potent activity in animal tests predictive of antipsychotic activity in humans after oral administration. This paper describes the SAR of the benzoxazinone series and the preclinical characterization of 26.

  DOI：

  10.1021/jm990277d

文献信息

• Combinations of D4 dopamine receptor antagonists with acetylcholine esterase inhibitors
  申请人：Pfizer Products Inc.

  公开号：EP1201268A2

  公开（公告）日：2002-05-02

  The present invention relates to a method of treating dementia or cognitive deficits associated with Alzheimer's Disease or Parkinson's Disease in a mammal, including a human, by administering to the mammal a D4 dopamine receptor antagonist in combination with an acetylcholine esterase inhibitor. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier, a D4 dopamine receptor antagonist and an acetylcholine esterase inhibitor.

  本发明涉及一种治疗与阿尔茨海默病或帕金森病相关的哺乳动物（包括人类）痴呆症或认知缺陷的方法，其方法是向哺乳动物施用 D4 多巴胺受体拮抗剂与乙酰胆碱酯酶抑制剂。它还涉及含有药学上可接受的载体、D4多巴胺受体拮抗剂和乙酰胆碱酯酶抑制剂的药物组合物。
• Combination treatment for depression, anxiety and psychosis comprising an antidepressant and/or anxiolytic and a D4 receptor antagonist
  申请人：Pfizer Products Inc.

  公开号：EP1213031A2

  公开（公告）日：2002-06-12

  The present invention relates to a method of treating depression, anxiety or psychosis in a mammal, including a human, by administering to the mammal a D4 receptor antagonist in combination with an antidepressant or an anxiolytic agent. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier, a D4 receptor antagonist and an antidepressant or an anxiolytic agent.

  本发明涉及一种治疗哺乳动物（包括人类）抑郁症、焦虑症或精神病的方法，其方法是向哺乳动物施用 D4 受体拮抗剂与抗抑郁剂或抗焦虑剂。它还涉及含有药学上可接受的载体、D4 受体拮抗剂和抗抑郁剂或抗焦虑剂的药物组合物。
• Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease
  申请人：——

  公开号：US20020052373A1

  公开（公告）日：2002-05-02

  The present invention relates to a method of treating dementia or cognitive deficits associated with Alzheimer's Disease or Parkinson's Disease in a mammal, including a human, by administering to the mammal a D4 dopamine receptor in combination with an acetylcholine esterase inhibitor. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier, a D4 dopamine receptor and an acetylcholine esterase inhibitor.

  本发明涉及一种治疗与阿尔茨海默病或帕金森病相关的哺乳动物（包括人类）痴呆症或认知缺陷的方法，其方法是向哺乳动物施用 D4 多巴胺受体与乙酰胆碱酯酶抑制剂。它还涉及含有药学上可接受的载体、D4 多巴胺受体和乙酰胆碱酯酶抑制剂的药物组合物。
• Combination treatment for depression, anxiety and psychosis
  申请人：Pfizer Inc

  公开号：US20020094986A1

  公开（公告）日：2002-07-18

  The present invention relates to a method of treating depression, anxiety or psychosis in a mammal, including a human, by administering to the mammal a D4 receptor antagonist in combination with an antidepressant or an anxiolytic agent. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier, a D4 receptor antagonist and an antidepressant or an anxiolytic agent.

  本发明涉及一种治疗哺乳动物（包括人类）抑郁症、焦虑症或精神病的方法，其方法是向哺乳动物施用 D4 受体拮抗剂与抗抑郁剂或抗焦虑剂。它还涉及含有药学上可接受的载体、D4 受体拮抗剂和抗抑郁剂或抗焦虑剂的药物组合物。
• J. Med. Chem. 1999, 42, 5181-5187
  作者：

  DOI：——

  日期：——