1,4,5,6,7,8-hexahydro-imidazo[4,5-d]azepine | 303021-32-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 1,4,5,6,7,8-hexahydro-imidazo[4,5-d]azepine
• 英文别名: 4,5,7,8-tetrahydro-1H,6H-imidazo[4,5-d]azepine；4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine；1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine
• CAS: 303021-32-1
• 化学式: C₇H₁₁N₃
• mdl: MFCD16250847
• 分子量: 137.184
• InChiKey: YGGJYQPWXRLNBA-UHFFFAOYSA-N

物化性质

• 沸点：
  390.4±32.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  40.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4,5,6,7,8-hexahydro-imidazo[4,5-d]azepine 在 水 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 20.0h， 生成 4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] INDAZOLES
  [FR] INDAZOLES

  摘要：

  本发明涉及式(I)化合物及其药学上可接受的盐和该化合物及盐的药学上可接受的溶剂，其中取代基在此定义；含有这种化合物的组合物；以及这种化合物在治疗各种疾病，特别是哮喘和慢性阻塞性肺疾病中的用途。

  公开号：

  WO2013014567A1
• 作为产物：
  描述：

  6-Benzyl-4,5,7,8-tetrahydro-1H,6H-imidazo[4,5-d]azepine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以59.3%的产率得到1,4,5,6,7,8-hexahydro-imidazo[4,5-d]azepine
  参考文献：
  名称：

  Substituted imidazoles, their preparation and use

  摘要：

  揭示了一类新型的取代咪唑化合物，包括含有它们的药物组合物以及这些化合物在治疗和/或预防与组胺H3受体相关的疾病和紊乱中的用途。更具体地说，这些化合物对于治疗和/或预防与组胺H3受体相互作用有益的疾病和紊乱是有用的。这些咪唑化合物具有以下式I的结构，其中R1、R2、R3、R4、R5、R6、A、X、Y和Z的定义如规范中所述。

  公开号：

  US06908926B1

文献信息

• SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES
  申请人：Hoffmann Matthias

  公开号：US20110201608A1

  公开（公告）日：2011-08-18

  The invention relates to new substituted naphthyridines of formula 1, as well as pharmacologically acceptable salts, diastereomers, enantiomers, racemates, hydrates or solvates thereof, wherein R 1 denotes a group A selected from among —O—R 3 , —NR 3 R 4 , —CR 3 R 4 R 5 , -(ethyne)-R 3 , —S—R 3 , —SO—R 3 and SO 2 —R 3 or R 1 denotes a group B selected from among C 6-10 -aryl, five- to ten-membered, mono- or bicyclic heteroaryl with 1-3 heteroatoms selected independently of one another from among N, O and S; while this heteroaryl is linked to the structure according to formula 1 via either a C atom or an N atom, three- to ten-membered, mono- or bicyclic, saturated or partially saturated heterocyclic group with 1-3 heteroatoms selected independently of one another from among N, O and S, while this heterocyclic group is linked to the structure according to formula 1 via either a C atom or an N atom, and 5- to 11-membered spiro group which may optionally contain 1, 2 or 3 heteroatoms selected independently of one another from among N, O and S, while this spiro group is linked to the structure according to formula 1 via either a C atom or an N atom, while this group B may optionally be substituted as described in claim 1 and wherein R 2 is and R 3 , R 4 , R 5 , R 6 , R 6′ , R 7 , R 8 , R 9 , R 10 , V, n and m may have the meanings given in claim 1 , as well as pharmaceutical compositions containing these compounds.

  该发明涉及公式1的新取代萘啉类化合物，以及其药理学上可接受的盐、对映体、对映异构体、外消旋体、水合物或溶剂合物，其中R1表示从以下选取的A基团，包括—O—R3、—NR3R4、—CR3R4R5、-(乙炔)-R3、—S—R3、—SO—R3和SO2—R3，或R1表示从以下选取的B基团，包括C6-10-芳基、含有1-3个异原子（N、O和S）的五至十元杂环芳基，而此杂环芳基通过碳原子或氮原子与公式1中的结构连接，含有1-3个异原子（N、O和S）的三至十元杂环饱和或部分饱和环族基团，而此杂环基团通过碳原子或氮原子与公式1中的结构连接，以及可能含有1、2或3个异原子（N、O和S）的五至十一元螺环基团，而此螺环基团通过碳原子或氮原子与公式1中的结构连接，其中该B基团可以选择地按照权利要求1中所述进行取代，R2为，R3、R4、R5、R6、R6′、R7、R8、R9、R10、V、n和m的含义如权利要求1中所述，以及含有这些化合物的药物组合物。
• Substituted imidazoles, their preparation and use
  申请人：Dörwald Florencio Zaragoza

  公开号：US06908926B1

  公开（公告）日：2005-06-21

  Disclosed is a novel class of substituted imidazole compounds, pharmaceutical compositions containing them and uses of these compounds in the treatment and/or prevention of diseases and disorders related to the histamine H3 receptor. More particularly, these compounds are useful for the treatment and/or prevention of diseases and disorders in which an interaction with the histamine H3 receptor is beneficial. These imidazoles compounds have the formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , A, X, Y and Z are as defined in the specification.

  揭示了一类新型的取代咪唑化合物，包括含有它们的药物组合物以及这些化合物在治疗和/或预防与组胺H3受体相关的疾病和紊乱中的用途。更具体地说，这些化合物对于治疗和/或预防与组胺H3受体相互作用有益的疾病和紊乱是有用的。这些咪唑化合物具有以下式I的结构，其中R1、R2、R3、R4、R5、R6、A、X、Y和Z的定义如规范中所述。
• Pyrimidine derivatives
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US20030171359A1

  公开（公告）日：2003-09-11

  The present invention relates to trisubstituted pyrimidines of formula (I) 1 wherein 0R a to R e are defined as in claim 1, which are suitable for the treatment of illnesses characterised by excessive or abnormal cell proliferation, the use thereof for preparing a pharmaceutical composition with the abovementioned properties, and processes for the preparation thereof.

  本发明涉及式（I）的三取代嘧啶化合物，其中R至R如权利要求书中所定义，适用于治疗由细胞过度或异常增殖特征的疾病，其用于制备具有上述特性的药物组合物，以及其制备方法。
• [EN] 4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE AND 1,4,5,6,7,8-HEXAHYDROIMIDAZO[4,5-D]AZEPINE DERIVATIVES AS JANUS KINASE INHIBITORS<br/>[FR] DÉRIVÉS 4,5,6,7-TÉTRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE ET 1,4,5,6,7,8-HÉXAHYDROIMIDAZO[4,5-D]AZÉPINE EN TANT QU'INHIBITEURS DE JANUS KINASE
  申请人：TOPIVERT PHARMA LTD

  公开号：WO2017077283A1

  公开（公告）日：2017-05-11

  There are provided compounds of formula (I), wherein X, Ak, s, L, Q, R1 and R2 have meanings given in the description, which compounds have antiinflammatory activity (e.g. through inhibition of one or more of members of the JAK family) and have use in therapy, including in pharmaceutical combinations, especially in the treatment of inflammatory diseases, including inflammatory diseases of the lung, eye and intestines.

  提供了化合物的公式（I），其中X，Ak，s，L，Q，R1和R2具有在描述中给出的含义，这些化合物具有抗炎活性（例如通过抑制JAK家族的一个或多个成员）并可用于治疗，包括在制药组合中，特别是用于治疗炎症性疾病，包括肺部，眼部和肠道的炎症性疾病。
• [EN] 4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE AND 1,4,5,6,7,8-HEXAHYDROIMIDAZO[4,5-D]AZEPINE DERIVATIVES AS JANUS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE 4,5,6,7-TÉTRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE ET 1,4,5,6,7,8-HEXAHYDROIMIDAZO[4,5-D]AZÉPINE À UTILISER EN TANT QU'INHIBITEURS DE JANUS KINASE
  申请人：TOPIVERT PHARMA LTD

  公开号：WO2017077288A1

  公开（公告）日：2017-05-11

  There are provided compounds of formula I, wherein X, Ak, s, A, R1 and R2 have meanings given in the description, which compounds have antiinflammatory activity (e.g. through inhibition of one or more of members of the JAK family) and have use in therapy, including in pharmaceutical combinations, especially in the treatment of inflammatory diseases, including inflammatory diseases of the lung, eye and intestines.

  提供了式I的化合物，其中X，Ak，s，A，R1和R2具有描述中给出的含义，这些化合物具有抗炎活性（例如通过抑制JAK家族成员之一）并用于治疗，包括在药物组合中，特别是用于治疗炎症性疾病，包括肺部，眼部和肠道的炎症性疾病。