[1,4]diazepine-1-carboxylic acid tert-butyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮卓类
• 英文名称: [1,4]diazepine-1-carboxylic acid tert-butyl ester
• 英文别名: [1,4]Diazepine-1-carboxylic acid tert-butylester；tert-butyl 1,4-diazepine-1-carboxylate
• 化学式: C₁₀H₁₄N₂O₂
• 分子量: 194.233
• InChiKey: ZYCVYFKLUDDRDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [1,4]diazepine-1-carboxylic acid tert-butyl ester 在 potassium carbonate 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 25.0h， 生成 (S)-2-(2-chloro-4-(7,7-difluoro-2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)phenoxy)-1-(1,4-diazepan-1-yl)ethan-1-one
  参考文献：
  名称：

  WO2023/121378

  摘要：

  公开号：

文献信息

• [EN] DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR<br/>[FR] COMPOSÉS DE DIAZÉPANE QUI MODULENT LE RÉCEPTEUR CB2
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009055357A1

  公开（公告）日：2009-04-30

  Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公开了公式(I)的化合物。根据发明的化合物能够结合并成为CB2受体的激动剂、拮抗剂或反向激动剂，并且用于治疗炎症。其中作为激动剂的化合物还可额外用于治疗疼痛。
• [EN] 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie<br/>[FR] AMIDES DE L'ACIDE 5- ET 6-AMINOALKYL INDOLE-2-CARBOXYLIQUE SUBSTITUÉ EN POSITION 3 ET ANALOGUES APPARENTÉS EN TANT QU'INHIBITEURS DE LA CASÉINE KINASE I EPSILON
  申请人：AVENTIS PHARMA INC

  公开号：WO2006023467A1

  公开（公告）日：2006-03-02

  The present invention discloses and claims compounds of formula (I) and formula (II) as inhibitors of human casein kinase Iϵ, and methods of using said compounds of formula (I) and formula (II) for treating central nervous system diseases and disorders including mood disorders and sleep disorders. Pharmaceutical compositions comprising compounds of formula (I) or formula (II) are also disclosed and claimed.

  本发明揭示并声明公式(I)和公式(II)的化合物作为人类酪蛋白激酶Iϵ的抑制剂，并使用公式(I)和公式(II)的这些化合物治疗包括情绪障碍和睡眠障碍在内的中枢神经系统疾病和疾病的方法。还揭示和声明了包含公式(I)或公式(II)化合物的药物组合物。
• [EN] (THIO) CARBAMOYL-CYCLOHEXANE DERIVATIVES AS D3/D2 RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE (THIO) CARBAMOYL-CYCLOHEXANE UTILISES EN TANT QU'ANTAGONISTES DES RECEPTEURS D3/D2
  申请人：RICHTER GEDEON VEGYESZET

  公开号：WO2005012266A1

  公开（公告）日：2005-02-10

  The present invention relates to new D3 and D2 dopamine receptor subtype preferring ligands of formula (I): wherein R1 and R2 represent independently a substituent selected from hydrogen, alkyl, aryl, cycloalkyl, aroyl, or R1 and R2 may form a heterocyclic ring with the adjacent nitrogen atom; X represents an oxygen or sulphur atom; n is an integer of from 1 to 2, and/or geometric isomers and/or stereoisomers and/or diastereomers and/or salts and/or hydrates and/or solvates thereof, to the processes for producing the same, to pharmaceutical compositions containing the same and to their use in therapy and/or prevention of a condition which requires modulation of dopamine receptors.

  本发明涉及新的D3和D2多巴胺受体亚型偏好配体，其化学式为（I）：其中R1和R2分别代表氢，烷基，芳基，环烷基，芳香酰基的取代基，或者R1和R2可以与相邻的氮原子形成杂环；X代表氧或硫原子；n为1至2的整数，以及它们的几何异构体和/或立体异构体和/或对映异构体和/或盐和/或水合物和/或溶剂化物，以及制备它们的方法，包含它们的制药组合物以及在需要调节多巴胺受体的情况下用于治疗和/或预防的用途。
• (THIO) Carbamoyl-Cyclohexane Derivatives as D3/D2 Receptor Antagonists
  申请人：Csongor Eva Againe

  公开号：US20100240640A1

  公开（公告）日：2010-09-23

  The present invention relates to new D3 and D2 dopamine receptor subtype preferring ligands of formula (I): wherein R 1 and R 2 represent independently a substituent selected from hydrogen, alkyl, aryl, cycloalkyl, aroyl, or R 1 and R 2 may form a heterocyclic ring with the adjacent nitrogen atom; X represents an oxygen or sulphur atom; n is an integer of from 1 to 2, and/or geometric isomers and/or stereoisomers and/or diastereomers and/or salts and/or hydrates and/or solvates thereof, to the processes for producing the same, to pharmaceutical compositions containing the same and to their use in therapy and/or prevention of a condition which requires modulation of dopamine receptors.

  本发明涉及一种新的D3和D2多巴胺受体亚型偏好配体，其化学式为（I）：其中R1和R2分别表示从氢，烷基，芳基，环烷基，芳酰基中选择的取代基，或者R1和R2可以与相邻的氮原子形成杂环；X表示氧或硫原子；n是1到2的整数，以及它们的几何异构体和/或立体异构体和/或对映异构体和/或盐和/或水合物和/或溶剂化物，以及制备它们的过程，含有它们的制药组合物以及它们在治疗和/或预防需要调节多巴胺受体的疾病中的应用。
• (THIO) Carbamoyl-cyclohexane derivatives as D3/D2 receptor antagonists
  申请人：Csongor Againe Eva

  公开号：US20060229297A1

  公开（公告）日：2006-10-12

  The present invention relates to new D3 and D2 dopamine receptor subtype preferring ligands of formula (I): wherein R 1 and R 2 represent independently a substituent selected from hydrogen, alkyl, aryl, cycloalkyl, aroyl, or R 1 and R 2 may form a heterocyclic ring with the adjacent nitrogen atom; X represents an oxygen or sulphur atom; n is an integer of from 1 to 2, and/or geometric isomers and/or stereoisomers and/or diastereomers and/or salts and/or hydrates and/or solvates thereof, to the processes for producing the same, to pharmaceutical compositions containing the same and to their use in therapy and/or prevention of a condition which requires modulation of dopamine receptors.

  本发明涉及公式（I）的新的D3和D2多巴胺受体亚型偏好配体，其中R1和R2分别表示从氢，烷基，芳基，环烷基，芳香基或R1和R2可以与相邻的氮原子形成杂环环；X表示氧原子或硫原子；n为1到2的整数，以及它们的几何异构体和/或立体异构体和/或对映异构体和/或盐和/或水合物和/或溶剂化物，以及制备它们的过程，含有它们的制药组合物以及它们在调节多巴胺受体所需的治疗和/或预防疾病中的使用。