Methyl 3-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)-benzoate | 866207-17-2

• 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: Methyl 3-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)-benzoate
• 英文别名: Methyl 3-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)benzoate；methyl 3-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzoate
• CAS: 866207-17-2
• 化学式: C₂₀H₂₁ClN₄O₂S
• 分子量: 416.931
• InChiKey: KOSCCIRSBSGHIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  95.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Methyl 3-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)-benzoate 以 甲醇 、 MeOH-H₂O 为溶剂， 以79%的产率得到3-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)benzoic acid
  参考文献：
  名称：

  New piperidinylamino-thieno[2,3-D] pyrimidine compounds

  摘要：

  该发明涉及5-HT受体拮抗剂。公开了由式I表示的新型哌啶基氨基噻吩[2,3-d]嘧啶化合物，以及其合成和用途，用于治疗由5-HT受体直接或间接介导的疾病。这些疾病包括中枢神经系统疾病，如肺动脉高压、偏头痛、高血压、胃肠道疾病、再狭窄、哮喘、阻塞性气道疾病、前列腺增生和勃起功能障碍、焦虑、抑郁症、精神分裂症、神经损伤和中风。还提供了制备方法、新型中间体和药用盐。

  公开号：

  US20050222175A1
• 作为产物：
  描述：

  6-chloro-N-(piperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine 、 3-(溴甲基)苯甲酸甲酯 生成 Methyl 3-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)-benzoate
  参考文献：
  名称：

  Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds

  摘要：

  本发明涉及5-HT受体调节剂，尤其是5-HT2B拮抗剂。本发明提供了由式I，II和III表示的新型哌啶基氨基噻吩[2,3-d]嘧啶化合物及其用于治疗包括肺动脉高压、充血性心力衰竭和高血压等疾病的用途。

  公开号：

  US20100113485A1

文献信息

• Piperidinylamino-thieno[2,3-D] pyrimidine compounds
  申请人：Dhanoa S. Dale

  公开号：US20050222176A1

  公开（公告）日：2005-10-06

  The invention relates to 5-HT receptor modulators, particularly 5-HT 2B antagonists. Novel piperidinylamino-thieno [2,3-d] pyrimidine compounds represented by Formula I, II and III, and uses thereof for treating conditions including pulmonary arterial hypertension, congestive heart failure, and hypertension.

  这项发明涉及5-HT受体调节剂，特别是5-HT 2B 拮抗剂。公式I、II和III所代表的新型哌啶基氨基噻吩[2,3-d]嘧啶化合物，以及它们用于治疗包括肺动脉高压、充血性心力衰竭和高血压等疾病的用途。
• Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds
  申请人：Dhanoa Dale S.

  公开号：US20110082157A1

  公开（公告）日：2011-04-07

  The invention relates to 5-HT receptor antagonists. Novel piperidinylamino-thieno [2,3-d] pyrimidine compounds represented by Formula I, and synthesis and uses thereof for treating diseases mediated directly or indirectly by 5-HT receptors, are disclosed. Such conditions include central nervous system disorders such as pulmonary arterial hypertension, migraine, hypertension, disorders of the gastrointestinal tract, restenosis, asthma, obstructive airway disease, prostatic hyperplasia and priapism, anxiety, depression, schizophrenia, neural injury and stroke. Methods of preparation and novel intermediates and pharmaceutical salts thereof are also provided.

  本发明涉及5-HT受体拮抗剂。公开了由式I表示的新型哌啶基氨基噻吩[2,3-d]嘧啶化合物的合成和用途，用于治疗直接或间接由5-HT受体介导的疾病。这些病症包括中枢神经系统疾病，如肺动脉高压、偏头痛、高血压、胃肠道疾病、再狭窄、哮喘、阻塞性气道疾病、前列腺增生和勃起过长、焦虑、抑郁症、精神分裂症、神经损伤和中风。还提供了制备方法、新型中间体和药物盐。
• PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS
  申请人：Epix Delaware, Inc.

  公开号：EP1797099B1

  公开（公告）日：2010-08-11
• US7612078B2
  申请人：——

  公开号：US7612078B2

  公开（公告）日：2009-11-03
• [EN] PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS PIPÉRIDINYLAMINO-THIÉNO[2,3-d]PYRIMIDINES
  申请人：PREDIX PHARMACEUTICALS HOLDING

  公开号：WO2006034511A1

  公开（公告）日：2006-03-30

  The invention relates to 5-HT receptor modulators, particularly 5-HT2B antagonists. Novel piperidinylamino-thieno [2,3-d] pyrimidine compounds, and uses thereof for treating conditions including pulmonary arterial hypertension, congestive heart failure, hypertension, central nervous system disorders such as migraine, disorders of the gastrointestinal tract, restenosis, asthma, obstructive airway disease, prostatic hyperplasia and priapism, anxiety, depression, schizophrenia, neural injury and stroke. Methods of preparation and novel intermediates and pharmaceutical salts thereof are also provided.