1-(2-dimethylamino-ethyl)-1H-pyrazole-4-carboxylic acid phenyl ester | 874196-71-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 1-(2-dimethylamino-ethyl)-1H-pyrazole-4-carboxylic acid phenyl ester
• 英文别名: phenyl 1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
• CAS: 874196-71-1
• 化学式: C₁₄H₁₇N₃O₂
• 分子量: 259.308
• InChiKey: QZEVSJPEFCOPED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-甲氧基-7-吗啉苯并[d]噻唑-2-胺 、 1-(2-dimethylamino-ethyl)-1H-pyrazole-4-carboxylic acid phenyl ester 以the title compound was obtained as white crystals 54% yield)的产率得到1-(2-dimethylamino-ethyl)-1H-pyrazole-4-carboxylic acid (4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-amide
  参考文献：
  名称：

  Benzothiazole derivatives

  摘要：

  本发明涉及式IA和式IB的化合物，其中R1和R2分别独立地为较低的烷基或-(CH2)m-O-较低的烷基，或与它们所连接的N原子形成杂环环；R3为氢或较低的烷基；R4为较低的烷基；hetaryl为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；以及其药物可接受的酸盐。这些化合物可用于治疗阿尔茨海默病、帕金森病、亨廷顿病、神经保护、精神分裂症、焦虑、疼痛、呼吸功能障碍、抑郁症、注意力不足过动症、如安非他命、可卡因、阿片类、乙醇、尼古丁、大麻素等药物成瘾的治疗，或用于哮喘、过敏反应、缺氧、缺血、癫痫和物质滥用的治疗，或用作镇静剂、肌肉松弛剂、抗精神病药、抗癫痫药、抗惊厥药和冠状动脉疾病和心力衰竭的心脏保护剂。

  公开号：

  US07371749B2

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.