(R)-1-[[2-(2,5-Difluorophenyl)-4-quinolinyl]carbonyl]-2-hydroxymethylpyrrolidine

• 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: (R)-1-[[2-(2,5-Difluorophenyl)-4-quinolinyl]carbonyl]-2-hydroxymethylpyrrolidine
• 英文别名: [2-(2,5-difluorophenyl)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
• 化学式: C₂₁H₁₈F₂N₂O₂
• 分子量: 368.383
• InChiKey: WRGMPUSGKYUGDH-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• 2,4-Substituted pyridine derivatives
  申请人：Neurogen Corporation

  公开号：US20020161008A1

  公开（公告）日：2002-10-31

  Disclosed are compounds of the formula 1 or pharmaceutically acceptable salts thereof wherein: 2 represents: 3 and A, B, G, D, E, R a , R b , W, and Z are defined herein. These compounds are agonists, antagonists or inverse agonists for GABA A brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABA A brain receptors and are therefore useful in the diagnosis and treatment of anxiety, depression, Down Syndrome, sleep and seizure disorders, overdose with benzodiazepine drugs and for enhancement of memory. Pharmaceutical compositions, including packaged pharmaceutical compositions, are further provided. Compounds of the invention are also useful as probes for the localization of GABA A receptors in tissue samples.

  本发明公开了以下化合物或其药学上可接受的盐，其中：2代表：3，而A、B、G、D、E、Ra、Rb、W和Z在此定义。这些化合物是GABAA脑受体的激动剂、拮抗剂或反向激动剂，或者是GABAA脑受体激动剂、拮抗剂或反向激动剂的前药，因此在焦虑、抑郁、唐氏综合症、睡眠和癫痫障碍、苯二氮卓类药物过量和增强记忆的诊断和治疗中有用。此外，还提供了包装的药物组合物。发明中的化合物还可用作组织样品中GABAA受体的定位探针。
• 2,4-SUBSTITUTED PYRIDINE DERIVATIVES
  申请人：NEUROGEN CORPORATION

  公开号：EP1337523B1

  公开（公告）日：2005-10-19
• US6559163B2
  申请人：——

  公开号：US6559163B2

  公开（公告）日：2003-05-06
• [EN] 2,4-SUBSTITUTED PYRIDINE DERIVATIVES<br/>[FR] DERIVES PYRIDINE 2,4-SUBSTITUES
  申请人：NEUROGEN CORP

  公开号：WO2002014269A2

  公开（公告）日：2002-02-21

  Disclosed are compounds of the formula (I) or pharmaceutically acceptable salts thereof wherein: (i) represents: (ii, iii, iv, v) and A, B, G, D, E, Ra, Rb, W, and Z are defined herein. These compounds are agonists, antagonists or inverse agonists for GABAA brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAA brain receptors and are therefore useful in the diagnosis and treatment of anxiety, depression, down Syndrome, sleep and seizure disorders, overdose with benzodiazepine drugs and for enhancement of memory. Pharmaceutical compositions, including packaged pharmaceutical compositions, are further provided. Compounds of the invention are also useful as probes for the localization of GABAA receptors in tissue samples.