1-(2-morpholin-4-yl-ethyl)-1H-pyrazole-4-carboxylic acid ethyl ester | 874196-88-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-morpholin-4-yl-ethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
• 英文别名: Ethyl 1-(2-morpholinoethyl)-1H-pyrazole-4-carboxylate；ethyl 1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
• CAS: 874196-88-0
• 化学式: C₁₂H₁₉N₃O₃
• mdl: MFCD23158918
• 分子量: 253.301
• InChiKey: GQLRHCUGMOZGHG-UHFFFAOYSA-N

物化性质

• 沸点：
  387.1±32.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  56.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(2-氯乙基)吗啉 、 1H-吡唑-4-甲酸 在 potassium carbonate 、 水 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 24.5h， 以70%的产率得到1-(2-morpholin-4-yl-ethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Benzothiazole derivatives

  摘要：

  本发明涉及式IA和IB的化合物，其中R1和R2分别独立地是较低的烷基或-(CH2)m-O-较低的烷基，或者与它们连接的N原子一起形成一个杂环环；R3是氢或较低的烷基；R4是较低的烷基；hetaryl是3H-咪唑-2,4-二基或1H-吡唑-1,4-二基；n为1或2；m为1或2；以及其药学上可接受的酸盐。这些化合物可用于治疗阿尔茨海默氏病、帕金森氏病、亨廷顿氏病、神经保护、精神分裂症、焦虑、疼痛、呼吸功能障碍、抑郁症、注意力缺陷多动障碍、药物成瘾（如安非他明、可卡因、阿片类药物、乙醇、尼古丁、大麻素等）的治疗，或用于哮喘、过敏反应、缺氧、缺血、癫痫和物质滥用的治疗，或作为镇静剂、肌肉松弛剂、抗精神病药、抗癫痫药、抗惊厥药和对冠心病和心力衰竭的心脏保护剂。

  公开号：

  US20060019949A1

文献信息

• BENZOTHIAZOLE DERIVATIVES
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1773827B1

  公开（公告）日：2010-02-17
• US7371749B2
  申请人：——

  公开号：US7371749B2

  公开（公告）日：2008-05-13
• [EN] BENZOTHIAZOLE DERIVATIVES<br/>[FR] DERIVES DE BENZOTHIAZOLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2006008041A1

  公开（公告）日：2006-01-26

  The present invention relates to compounds of the general formula (IA) (IB) wherein R1, R2 independently from each other are lower alkyl or -(CH2)m-O-lower alkyl, or form together with the N atom to which they are attach a heterocyclic ring; R3 is hydrogen or lower alkyl; R4 is lower alkyl; hetaryl is 3H-imidazole-2,4-diyl or 1H-pyrazole-1,4-diyl; n is 1 or 2 and m is 1 or 2; and to pharmaceutically acceptable acid addition salts thereof. These compounds may be used for the treatment of Alzheimer's disease, Parkinson's disease, Huntington's disease, neuroprotection, schizophrenia, anxiety, pain, respiration deficits, depression, ADHD, drug addiction, such as amphetamine, cocaine, opioids, ethanol, nicotine, cannabinoids, or for the treatment of asthma, allergic responses, hypoxia, ischaemia, seizure and substance abuse, or for use as sedatives, muscle relaxants, antipsychotics, antiepileptics, anticonvulsants and cardiaprotective agents for coronary artery disease and heart failure.
• Benzothiazole derivatives
  申请人：Flohr Alexander

  公开号：US20060019949A1

  公开（公告）日：2006-01-26

  The present invention relates to compounds of formulae IA and IB wherein R 1 and R 2 are each independently lower alkyl or —(CH 2 ) m —O-lower alkyl, or together with the N atom to which they are attached form a heterocyclic ring; R 3 is hydrogen or lower alkyl; R 4 is lower alkyl; hetaryl is 3H-imidazole-2,4-diyl or 1H-pyrazole-1,4-diyl; n is 1 or 2; and m is 1 or 2; and to pharmaceutically acceptable acid addition salts thereof. These compounds may be used for the treatment of Alzheimer's disease, Parkinson's disease, Huntington's disease, neuroprotection, schizophrenia, anxiety, pain, respiration deficits, depression, ADHD, drug addiction, such as amphetamine, cocaine, opioids, ethanol, nicotine, cannabinoids, or for the treatment of asthma, allergic responses, hypoxia, ischaemia, seizure and substance abuse, or for use as sedatives, muscle relaxants, antipsychotics, antiepileptics, anticonvulsants and cardiaprotective agents for coronary artery disease and heart failure.

  本发明涉及式IA和IB的化合物，其中R1和R2分别独立地是较低的烷基或-(CH2)m-O-较低的烷基，或者与它们连接的N原子一起形成一个杂环环；R3是氢或较低的烷基；R4是较低的烷基；hetaryl是3H-咪唑-2,4-二基或1H-吡唑-1,4-二基；n为1或2；m为1或2；以及其药学上可接受的酸盐。这些化合物可用于治疗阿尔茨海默氏病、帕金森氏病、亨廷顿氏病、神经保护、精神分裂症、焦虑、疼痛、呼吸功能障碍、抑郁症、注意力缺陷多动障碍、药物成瘾（如安非他明、可卡因、阿片类药物、乙醇、尼古丁、大麻素等）的治疗，或用于哮喘、过敏反应、缺氧、缺血、癫痫和物质滥用的治疗，或作为镇静剂、肌肉松弛剂、抗精神病药、抗癫痫药、抗惊厥药和对冠心病和心力衰竭的心脏保护剂。