1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carboxylic acid dimethyl-amide | 167263-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carboxylic acid dimethyl-amide
• 英文别名: 4-Dimethylcarbamoyl-4-phenyl-piperidine-1-carboxylic Acid Tert-butyl Ester；N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide；tert-butyl 4-(dimethylcarbamoyl)-4-phenylpiperidine-1-carboxylate
• CAS: 167263-16-3
• 化学式: C₁₉H₂₈N₂O₃
• 分子量: 332.443
• InChiKey: BWQMKZZIUHZCNQ-UHFFFAOYSA-N

物化性质

• 沸点：
  459.8±45.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carboxylic acid dimethyl-amide 在 盐酸 作用下， 以 1,4-二氧六环 、 乙酸乙酯 为溶剂， 以95%的产率得到N,N-二甲基-4-苯基哌啶-4-甲酰胺单盐酸盐
  参考文献：
  名称：

  Heterocyclic compounds having tachykinin receptor antagonist activity

  摘要：

  式中的化合物及其季铵盐，其中R.sup.1和R.sup.2相同或不同，为碳环芳基或芳香杂环基；A为亚甲基、羰基或砜基；B为单键、C.sub.1-C.sub.4烷基或C.sub.2-C.sub.4烯基；D为氧；E为C.sub.2烷基；G为C.sub.1-C.sub.4烷基或C.sub.2-C.sub.4烯基；L为--C(R.sup.4)(R.sup.5)，其中R.sup.4和R.sup.5与其连接的碳原子一起表示C.sub.5-C.sub.10环烷基或C.sub.5-C.sub.10杂环基。特别优选的是L代表##STR1##其中J为C.sub.1-C.sub.6烷基；Ar为环状碳环或芳香杂环，S*.fwdarw.O为亚砜，其中硫原子处于5-构型。这些化合物具有肽激肽受体拮抗活性，并对NK.sub.1和NK.sub.2受体均表现出活性。

  公开号：

  US06159967A1
• 作为产物：
  描述：

  二甲胺 、 保护的4-苯基哌啶-4-羧酸 生成 1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carboxylic acid dimethyl-amide
  参考文献：
  名称：

  Substituted pyrrolidin-3-yl-alkyl-piperidines

  摘要：

  本发明涉及取代的吡咯烷基-3-基-烷基哌啶，它们的立体异构体以及其药学上可接受的盐，并且涉及其制备过程。本发明中的化合物在药理学活性方面有用，例如迅速肽拮抗作用，特别是物质P和神经激肽A的拮抗作用等。具有迅速肽拮抗作用的化合物适用于与神经源性炎症和本文所述的其他疾病有关的情况。

  公开号：

  US05635510A1

文献信息

• 4,4-Disubstitued piperidines, and methods of use thereof
  申请人：——

  公开号：US20020177607A1

  公开（公告）日：2002-11-28

  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 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将这些杂环化合物用作各种哺乳动物细胞受体的配体，包括多巴胺转运体。本发明的化合物将用于治疗许多影响哺乳动物的疾病、状况和疾病，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、注意力缺陷多动症、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、威尔逊病和抽动症。本发明的另一个方面涉及合成这些杂环化合物的组合库，并对这些库进行生物活性筛选，例如在基于多巴胺转运体的测定中。
• Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them
  申请人：——

  公开号：US20040220223A1

  公开（公告）日：2004-11-04

  Compounds of formula (I), a method for obtaining them and pharmaceutical compositions containing them are described. The compounds are useful as human NK 3 receptor antagonists.

  本文描述了化学式（I）的化合物，获得它们的方法以及含有它们的药物组合物。这些化合物可用作人类NK3受体拮抗剂。
• Substituted pyrrolidin-3-yl-alkyl-piperidines
  申请人：Merrell Pharmaceuticals Inc.

  公开号：US05635510A1

  公开（公告）日：1997-06-03

  The present invention relates to substituted pyrrolidinyl-3-yl-alkyl-piperidines, their stereoisomers, and pharmaceutically acceptable salts thereof and processes for preparation of the same. The compounds of the present invention are useful in their pharmacological activities such as tachykinin antagonism, especially substance P and neurokinin A antagonism, and the like. Compounds having the property of tachykinin antagonism are indicated for conditions associated with neurogenic inflammation and other diseases described herein.

  本发明涉及取代的吡咯烷基-3-基-烷基哌啶，它们的立体异构体以及其药学上可接受的盐，并且涉及其制备过程。本发明中的化合物在药理学活性方面有用，例如迅速肽拮抗作用，特别是物质P和神经激肽A的拮抗作用等。具有迅速肽拮抗作用的化合物适用于与神经源性炎症和本文所述的其他疾病有关的情况。
• 4,4-disubstituted piperidines, and methods of use thereof
  申请人：——

  公开号：US20040142974A1

  公开（公告）日：2004-07-22

  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 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。本发明的第二方面涉及将杂环化合物用作各种哺乳动物细胞受体的配体，包括多巴胺转运体。本发明的化合物将用于治疗许多困扰哺乳动物的疾病，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，注意力不足多动症，肠易激综合症，早泄，月经困扰综合症，尿失禁，炎症性疼痛，神经痛，Lesche-Nyhane病，威尔逊病和抽动症。本发明的另一个方面涉及合成杂环化合物的组合库，并对这些库进行生物活性筛选，例如基于多巴胺转运体的测定。
• 4,4-Disubstituted piperidines, and methods of use thereof
  申请人：Hoemann Z. Michael

  公开号：US20070225331A1

  公开（公告）日：2007-09-27

  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 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。本发明的另一个方面涉及将这些杂环化合物用作各种哺乳动物细胞受体的配体，包括多巴胺转运体。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、注意力缺陷多动症、肠易激综合症、早泄、月经困扰综合症、尿失禁、炎症性疼痛、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，以及筛选这些库的生物活性，例如在基于多巴胺转运体的测定中。