4,5,7,8-四氢吡唑并[3,4-D]氮杂6-(1H)-羧酸叔丁酯 | 1029720-45-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 中文名称: 4,5,7,8-四氢吡唑并[3,4-D]氮杂6-(1H)-羧酸叔丁酯
• 英文名称: 1,1-dimethylethyl 4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate
• 英文别名: Tert-butyl 4,5,7,8-tetrahydropyrazolo[3,4-D]azepine-6(1H)-carboxylate；tert-butyl 4,5,7,8-tetrahydro-1H-pyrazolo[3,4-d]azepine-6-carboxylate
• CAS: 1029720-45-3
• 化学式: C₁₂H₁₉N₃O₂
• 分子量: 237.302
• InChiKey: PJISIGKHCIEAKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5,7,8-四氢吡唑并[3,4-D]氮杂6-(1H)-羧酸叔丁酯 在 碘 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以69.93 %的产率得到3-Iodo-4,5,7,8-Tetrahydro-1H-1,2,6-Triaza-Azulene-6-Carboxylic Acid Tert-Butyl Ester
  参考文献：
  名称：

  CN115806561

  摘要：

  公开号：
• 作为产物：
  描述：

  1,1-dimethylethyl 4-formyl-5-oxohexahydro-1H-azepine-1-carboxylate 在 肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4,5,7,8-四氢吡唑并[3,4-D]氮杂6-(1H)-羧酸叔丁酯
  参考文献：
  名称：

  WO2007/25596

  摘要：

  公开号：

文献信息

• [EN] THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY SLPL RECEPTORS<br/>[FR] DÉRIVÉS DE THIADIAZOLE ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES MÉDIÉS PAR LES RÉCEPTEURS SLPL
  申请人：GLAXO GROUP LTD

  公开号：WO2010146104A1

  公开（公告）日：2010-12-23

  The present invention relates to novel compounds having pharmacological activity, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders.

  本发明涉及具有药理活性的新颖化合物、它们的制备过程、含有它们的药物组合物及其用于治疗各种疾病的应用。
• NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT
  申请人：Shionogi & Co., Ltd.

  公开号：US20190161501A1

  公开（公告）日：2019-05-30

  Novel compounds having D3 receptor antagonistic activity are provided. A compound represented by formula (I): wherein ring A is a heterocycle, X 1 is each independently CR 4a R 4b , X 2 is each independently CR 4c R 4d , Y 1 and Y 2 are each independently a carbon atom or a nitrogen atom, L is —N(R 6 )—C(═O)— or the like, W is cyclyl or the like, R 2 and R 3 are each independently substituted or unsubstituted alkyl or the like, R 1a , R 1b , R 4a to R 4d , and R 6 are each independently hydrogen atoms or the like, p is 1 or 2, q is an integer of 1 to 3, n is an integer of 1 to 4, s is an integer of 0 to 4, or a pharmaceutically acceptable salt thereof.

  提供具有D3受体拮抗活性的新化合物。一种由以下式（I）表示的化合物：其中环A是杂环，X1分别是CR4aR4b，X2分别是CR4cR4d，Y1和Y2分别是碳原子或氮原子，L是—N(R6)—C(═O)—或类似物，W是环烷基或类似物，R2和R3分别是取代或未取代的烷基或类似物，R1a、R1b、R4a到R4d和R6分别是氢原子或类似物，p为1或2，q是1到3的整数，n是1到4的整数，s是0到4的整数，或其药学上可接受的盐。
• Pyrazolo [3,4-D]Azepine Derivatives as Histamine H3 Antagonists
  申请人：Bamford Mark James

  公开号：US20080176832A1

  公开（公告）日：2008-07-24

  The present invention relates to novel pyrazole derivatives of formula I having pharmacological activity as H3 antagonists processes for their preparation, to compositions containing them and to their use in the treatment of neurological and psychiatric disorders.

  本发明涉及一种新的式I的吡唑衍生物，具有作为H3拮抗剂的药理活性，其制备方法，包含它们的组合物以及它们在治疗神经和精神障碍中的应用。
• Pyrazolo [3,4-D]azepine derivatives as histamine H3 antagonists
  申请人：Glaxo Group Limited

  公开号：US07888347B2

  公开（公告）日：2011-02-15

  The present invention relates to novel pyrazole derivatives of formula I having pharmacological activity as H3 antagonists processes for their preparation, to compositions containing them and to their use in the treatment of neurological and psychiatric disorders.

  本发明涉及一种具有药理活性的H3拮抗剂的新型吡唑烷衍生物，其化学式为I，以及制备它们的方法，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。
• THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS
  申请人：Bailey James Matthew

  公开号：US20120101086A1

  公开（公告）日：2012-04-26

  The present invention relates to novel compounds having pharmacological activity, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders.

  本发明涉及具有药理活性的新化合物，其制备过程，含有它们的制药组合物以及它们在治疗各种疾病中的应用。