1-(isopropyl)-4-{[4-(tetrahydro-2H-pyran-4-yloxy)phenyl]carbonyl}hexahydro-1H-1,4-diazepine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(isopropyl)-4-{[4-(tetrahydro-2H-pyran-4-yloxy)phenyl]carbonyl}hexahydro-1H-1,4-diazepine
• 英文别名: 1-isopropyl-4-{[4-(tetrahydro-2H-pyran-4-yloxy)phenyl]carbonyl}hexahydro-1H-1,4-diazepine；[4-(Oxan-4-yloxy)phenyl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
• 化学式: C₂₀H₃₀N₂O₃
• 分子量: 346.47
• InChiKey: MWVKAAYXRMMBQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(isopropyl)-4-{[4-(tetrahydro-2H-pyran-4-yloxy)phenyl]carbonyl}hexahydro-1H-1,4-diazepine 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 1-(isopropyl)-4-{[4-(tetrahydro-2H-pyran-4-yloxy)phenyl]carbonyl}hexahydro-1H-1,4-diazepine hydrochloride
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS
  [FR] DERIVES DE DIAZEPINE 1-BENZOYLE SUBSTITUES EN TANT QU'AGONISTES DE RECEPTEUR D'HISTAMINE SELECTIVE H3

  摘要：

  本发明涉及具有药理活性的新型二氮杂环庚基衍生物（I）的公式，其制备方法，含有它们的组合物以及它们在治疗神经和精神障碍中的用途。

  公开号：

  WO2005040144A1
• 作为产物：
  描述：

  4-(4-四氢吡喃氧基)苯甲酸 、 1-异丙基-[1,4]二氮杂烷 在 N,N'-羰基二咪唑 作用下， 以 乙腈 为溶剂， 生成 1-(isopropyl)-4-{[4-(tetrahydro-2H-pyran-4-yloxy)phenyl]carbonyl}hexahydro-1H-1,4-diazepine
  参考文献：
  名称：

  [EN] SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE
  [FR] SEL DE 1-ISOPROPYL-4-{[4-(TÉTRAHYDRO-2H-PYRAN-4-YLOXY)PHÉNYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZÉPINE ET SES PROCÉDÉS DE PRÉPARATION

  摘要：

  公开号：

  WO2010018231A3

文献信息

• [EN] PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR<br/>[FR] DÉRIVÉ DE PIPÉRAZINE PRÉSENTANT UNE AFFINITÉ POUR LE RÉCEPTEUR H3 DE L'HISTAMINE
  申请人：GLAXO GROUP LTD

  公开号：WO2009030716A1

  公开（公告）日：2009-03-12

  The present invention relates to 1-(1-methylethyl)-4-[4-(tetrahydro-2H-pyran-4-yloxy)phenyl]carbonyl}piperazine (Formula) or a pharmaceutically acceptable salt thereof, in particular the hydrochloride salt thereof and crystalline forms of the hydrochloride salt; to processes for the preparation of the compound or its salt; to compositions containing it; and to its use in the treatment or prophylaxis of neurological or psychiatric diseases, such as cognitive impairment, fatigue or a sleep disorder, for example in a mammal such as a human. The compound or a salt thereof has affinity for and is an antagonist and/or inverse agonist of the histamine H3 receptor.

  本发明涉及1-(1-甲基乙基)-4-[4-(四氢-2H-吡喃-4-氧基)苯基]羰基}哌嗪（分子式）或其药学上可接受的盐，特别是其盐酸盐及其盐酸盐的结晶形式；制备该化合物或其盐的方法；含有它的组合物；以及其在治疗或预防神经系统或精神疾病，如认知障碍、疲劳或睡眠障碍等方面的用途，例如在哺乳动物中，如人类。该化合物或其盐对组织胺H3受体具有亲和力，并且是组织胺H3受体的拮抗剂和/或逆向激动剂。
• 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists
  申请人：Bruton Gordon

  公开号：US20080045505A1

  公开（公告）日：2008-02-21

  The present invention relates to novel diazepanyl derivatives of formula (I) having pharmacological activity, processes for their preparation, to compositions containing them and to their use in the treatment of neurological and psychiatric disorders.

  本发明涉及具有药理活性的新型二氮平衍生物（I式），其制备方法，包含它们的组合物以及它们在神经系统和精神障碍治疗中的应用。
• Piperazine Derivative Having Affinity for the Histamine H3 Receptor
  申请人：Best Desmond John

  公开号：US20100204242A1

  公开（公告）日：2010-08-12

  The present invention relates to 1-(1-methylethyl)-4-[4-(tetrahydro-2H-pyran-4-yloxy)phenyl]carbonyl}piperazine or a pharmaceutically acceptable salt thereof, in particular the hydrochloride salt thereof and crystalline forms of the hydrochloride salt; to processes for the preparation of the compound or its salt; to compositions containing it; and to its use in the treatment or prophylaxis of neurological or psychiatric diseases, such as cognitive impairment, fatigue or a sleep disorder, for example in a mammal such as a human. The compound or a salt thereof has affinity for and is an antagonist and/or inverse agonist of the histamine H3 receptor.

  本发明涉及1-(1-甲基乙基)-4-[4-(四氢-2H-吡喃-4-氧基)苯基]甲酰基}哌嗪或其药学上可接受的盐，特别是其盐酸盐及其盐酸盐的晶体形式；制备该化合物或其盐的过程；含有该化合物的组合物；以及在哺乳动物，例如人类中治疗或预防神经系统或精神疾病，如认知障碍、疲劳或睡眠障碍等方面的用途。该化合物或其盐具有亲和力并且是组胺H3受体的拮抗剂和/或反向激动剂。
• PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR
  申请人：BEST Desmond John

  公开号：US20090170869A1

  公开（公告）日：2009-07-02

  The present invention relates to 1-(1-methylethyl)-4-[4-(tetrahydro-2H-pyran-4-yloxy)phenyl]carbonyl}piperazine or a pharmaceutically acceptable salt thereof, in particular the hydrochloride salt thereof and crystalline forms of the hydrochloride salt; to processes for the preparation of the compound or its salt; to compositions containing it; and to its use in the treatment or prophylaxis of neurological or psychiatric diseases, such as cognitive impairment, fatigue or a sleep disorder, for example in a mammal such as a human. The compound or a salt thereof has affinity for and is an antagonist and/or inverse agonist of the histamine H3 receptor.

  本发明涉及1-(1-甲基乙基)-4-[4-(四氢-2H-吡喃-4-氧基)苯基]羰基}哌嗪或其药学上可接受的盐，特别是其盐酸盐和盐酸盐的结晶形式；制备该化合物或其盐的方法；含有该化合物的组合物；以及其在治疗或预防神经系统或精神系统疾病中的应用，例如认知障碍、疲劳或睡眠障碍，例如在哺乳动物如人类中。该化合物或其盐具有亲和力，并且是组胺H3受体的拮抗剂和/或反向激动剂。
• 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS
  申请人：BRUTON GORDON

  公开号：US20110039833A1

  公开（公告）日：2011-02-17

  The present invention relates to novel diazepanyl derivatives having pharmacological activity, processes for their preparation, to compositions containing them and to their use in the treatment of neurological and psychiatric disorders.

  本发明涉及具有药理活性的新型二氮杂环庚烷基衍生物，其制备方法，含有它们的组合物以及它们在神经系统和精神障碍治疗中的应用。