1-methyl-1,4,5,6,7,8-hexahydro-imidazo[4,5-d]azepine | 1054316-78-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-methyl-1,4,5,6,7,8-hexahydro-imidazo[4,5-d]azepine
• 英文别名: 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
• CAS: 1054316-78-7
• 化学式: C₈H₁₃N₃
• 分子量: 151.211
• InChiKey: ALUGRCQXDPUBQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  C₁₅H₁₉N₃ 在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 为溶剂， 25.0~60.0 ℃ 、500.01 kPa 条件下， 反应 168.0h， 生成 1-methyl-1,4,5,6,7,8-hexahydro-imidazo[4,5-d]azepine
  参考文献：
  名称：

  WO2008/107444

  摘要：

  公开号：

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。
• COMPOUNDS
  申请人：Stadtmueller Heinz

  公开号：US20100311721A1

  公开（公告）日：2010-12-09

  The present invention encompasses compounds of general formula (1) wherein R 1 , R 2 and R 3 are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use for preparing a pharmaceutical composition having the above-mentioned properties.

  本发明涵盖了一般式（1）中定义的化合物，其中R1、R2和R3如权利要求1所定义，适用于治疗由细胞过度或异常增殖所表征的疾病，并且它们的用途用于制备具有上述属性的制药组合物。
• 2,6 DIAMINO-9H-PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2134723B1

  公开（公告）日：2017-07-12
• US8404674B2
  申请人：——

  公开号：US8404674B2

  公开（公告）日：2013-03-26
• [EN] 9H- PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2008107444A1

  公开（公告）日：2008-09-12

  [EN] The present invention encompasses compounds of general formula (1) wherein R¹, R² and R³ are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use for preparing a pharmaceutical composition having the above-mentioned properties.
  [FR] La présente invention concerne des composés représentés par la formule générale (1) dans laquelle R¹, R² et R³ sont définis tels que dans la revendication 1, adaptés pour le traitement de maladies caractérisées par une prolifération cellulaire excessive ou anormale, et leur utilisation dans la préparation d'une composition pharmaceutique présentant les propriétés mentionnées ci-dessus.