1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-3-carboxamide | 1000376-79-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
• 英文别名: 1-benzyl-N-cycloheptyl-4-oxoquinoline-3-carboxamide
• CAS: 1000376-79-3
• 化学式: C₂₄H₂₆N₂O₂
• 分子量: 374.483
• InChiKey: VRAAPPPBWYVIIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-cycloheptyl-4-oxo-1H-quinoline-3-carboxamide 、 氯化苄 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
  参考文献：
  名称：

  New 1,8-naphthyridine and quinoline derivatives as CB2 selective agonists

  摘要：

  A series of new 1,8-naphthyridine and quinoline derivatives were synthesized and evaluated for their cannabinoid receptor affinity. In particular, compounds 2, 5, 11, and 13 showed a high CB2 affinity and CB2 versus CB1 selectivity, in agreement with molecular modeling studies. Furthermore, compound 2 also exhibited in vivo antinociceptive effects. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.089

文献信息

• HETEROCYCLIC COMPOUND AND USE THEREFOR
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20150126487A1

  公开（公告）日：2015-05-07

  The present invention provides a compound having a cholinergic muscarinic M1 receptor positive allosteric modulator activity, and useful as a prophylactic or therapeutic drug for Alzheimer's disease, schizophrenia, pain, a sleep disorder and the like. The present invention relates to a compound represented by the formula (I): wherein R 1 is an optionally substituted amino group or an optionally substituted cyclic amino group, R 2 and R 3 are each independently a hydrogen atom or a substituent, X is —CH═ or —N═, and ring A is an optionally substituted 5- to 10-membered ring, or a salt thereof.

  本发明提供了一种具有胆碱能肌动蛋白M1受体正变构调节剂活性的化合物，可用作预防或治疗阿尔茨海默病、精神分裂症、疼痛、睡眠障碍等药物。本发明涉及一种由式(I)表示的化合物：其中R1是可选取代的氨基或可选取代的环状氨基，R2和R3各自独立地是氢原子或取代基，X是—CH═或—N═，环A是可选取代的5-至10-成员环，或其盐。
• DIHYDROQUINOLINONE COMPOUNDS AS MODULATORS OF THE MUSCARININC M1 RECEPTOR
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2821401B1

  公开（公告）日：2020-09-09
• US9403802B2
  申请人：——

  公开号：US9403802B2

  公开（公告）日：2016-08-02
• New 1,8-naphthyridine and quinoline derivatives as CB2 selective agonists
  作者：Clementina Manera、Maria Grazia Cascio、Veronica Benetti、Marco Allarà、Tiziano Tuccinardi、Adriano Martinelli、Giuseppe Saccomanni、Elisa Vivoli、Carla Ghelardini、Vincenzo Di Marzo、Pier Luigi Ferrarini

  DOI：10.1016/j.bmcl.2007.09.089

  日期：2007.12

  A series of new 1,8-naphthyridine and quinoline derivatives were synthesized and evaluated for their cannabinoid receptor affinity. In particular, compounds 2, 5, 11, and 13 showed a high CB2 affinity and CB2 versus CB1 selectivity, in agreement with molecular modeling studies. Furthermore, compound 2 also exhibited in vivo antinociceptive effects. (c) 2007 Elsevier Ltd. All rights reserved.