3-苯乙基哌嗪-1-羧酸叔丁酯 | 500129-54-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3-苯乙基哌嗪-1-羧酸叔丁酯
• 英文名称: 3-Phenethyl-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-Butyl 3-phenethylpiperazine-1-carboxylate；tert-butyl 3-(2-phenylethyl)piperazine-1-carboxylate
• CAS: 500129-54-4
• 化学式: C₁₇H₂₆N₂O₂
• 分子量: 290.406
• InChiKey: ZYBNWWDFSZMFFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090

文献信息

• 2-substituted piperidines that are ligands for monoamine receptors and transporters
  申请人：——

  公开号：US20030073681A1

  公开（公告）日：2003-04-17

  One aspect of the present invention relates to heterocyclic compounds. A second aspect of the present invention relates to the use of the heterocyclic compounds as ligands for various mammalian cellular receptors, including dopamine, serotonin, or norepinephrine transporters. The compounds of the present invention will find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, analgesia, schizophrenia, Parkinson's disease, restless leg syndrome, sleeping disorders, attention deficit hyperactivity disorder, irritable bowel syndrome, premature ejaculation, menstrual dysphoria syndrome, urinary incontinence, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, and Tourette's syndrome. An additional aspect of the present invention relates to the synthesis of combinatorial libraries of the heterocyclic compounds, and the screening of those libraries for biological activity, e.g., in assays based on dopamine transporters.

  本发明的一个方面涉及杂环化合物。本发明的第二个方面涉及使用这些杂环化合物作为各种哺乳动物细胞受体的配体，包括多巴胺、血清素或去甲肾上腺素转运蛋白。本发明的化合物将用于治疗许多影响哺乳动物的疾病、病症和疾病，包括但不限于成瘾、焦虑、抑郁、性功能障碍、高血压、偏头痛、阿尔茨海默病、肥胖症、呕吐、精神病、镇痛、精神分裂症、帕金森病、不宁腿综合症、睡眠障碍、注意力缺陷多动障碍、肠易激综合症、早泄、月经不适综合症、尿失禁、炎性疼痛、神经病性疼痛、Lesche-Nyhane病、威尔逊病和托瑞特综合症。本发明的另一个方面涉及合成这些杂环化合物的组合库，并筛选这些库的生物活性，例如基于多巴胺转运蛋白的测定。
• [EN] 2-SUBSTITUTED PIPERIDINES THAT ARE LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS<br/>[FR] PIPERIDINES 2-SUBSTITUE, LIGANDS POUR DES RECEPTEURS ET DES TRANSPORTEURS DE MONOAMINES
  申请人：SEPRACOR INC

  公开号：WO2003016274A2

  公开（公告）日：2003-02-27

  One aspect of the present invention relates to heterocyclic compounds. A second aspect of the present invention relates to the use of the heterocyclic compounds as ligands for various mammalian cellular receptors, including dopamine, serotonin, or norepinephrine transporters. The compounds of the present invention will find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, analgesia, schizophrenia, Parkinson's disease, restless leg syndrome, sleeping disorders, attention deficit hyperactivity disorder, irritable bowel syndrome, premature ejaculation, menstrual dysphoria syndrome, urinary incontinence, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, and Tourette's syndrome. An additional aspect of the present invention relates to the synthesis of combinatorial libraries of the heterocyclic compounds, and the screening of those libraries for biological activity, e.g., in assays based on dopamine transporters.