1-(5-phenyl-thieno[2,3-d]pyrimidine-4-yl)-piperidin-4-ylamine | 660836-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 1-(5-phenyl-thieno[2,3-d]pyrimidine-4-yl)-piperidin-4-ylamine
• 英文别名: 1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
• CAS: 660836-08-8
• 化学式: C₁₇H₁₈N₄S
• 分子量: 310.423
• InChiKey: HIRSDTQHJHCMSL-UHFFFAOYSA-N

物化性质

• 沸点：
  525.4±50.0 °C(Predicted)
• 密度：
  1.269±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  83.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(5-phenyl-thieno[2,3-d]pyrimidine-4-yl)-piperidin-4-ylamine 、 愈创木酚缩水甘油醚 以 异丙醇 为溶剂， 生成 1-(2-Methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
  参考文献：
  名称：

  Thienopyrimidines as β3-adrenoceptor agonists: Hit-to-lead optimization

  摘要：

  Resulting from a vHTS based on a pharmacophore alignment on known beta 3-adrenoceptor ligands, an aryloxypropanolamine scaffold comprising a thienopyrimidine moiety was further optimized as a human beta 3-AR agonist, yielding a lead compound with an excellent cellular activity of EC(50) = 20 pM, selectivity over h beta 1- and h beta 2- adrenoceptors and a promising safety profile. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.039
• 作为产物：
  描述：

  1-(5-phenyl-thieno[2,3-d]pyrimidine-4-yl)-piperidin-4-ylamine hydrochloride salt 在 氨 作用下， 以 水 为溶剂， 生成 1-(5-phenyl-thieno[2,3-d]pyrimidine-4-yl)-piperidin-4-ylamine
  参考文献：
  名称：

  [EN] SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS
  [FR] AMINOPYRIMIDINES SUBSTITUEES UTILISEES EN TANT QU'AGONISTES DE LA NEUROKININE

  摘要：

  公开号：

  WO2004014850A3

文献信息

• Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors
  申请人：XENTION LIMITED

  公开号：US20140371203A1

  公开（公告）日：2014-12-18

  The present invention provides compounds of formula (I): (Formula (I); wherein A, R 1 , R 2 , R 3 I , V, X, and Z are defined herein, which are potassium channel inhibitors. The invention further provides pharmaceutical compositions comprising the compounds of formula (I) and their use in therapy, in particular in treatment of diseases or conditions that are mediated by K ir 3.1 and/or K ir 3.4 or any heteromultimers thereof, or that require inhibition of K ir 3.1 and/or K ir 3.4 or any heteromultimers thereof.

  本发明提供了式(I)的化合物：（式(I)；其中A、R1、R2、R3I、V、X和Z在此处定义，这些化合物是钾通道抑制剂。该发明还提供了包括式(I)的化合物的药物组合物及其在治疗中的使用，特别是在治疗由K ir 3.1和/或K ir 3.4或其任何异源多聚体介导的疾病或症状，或需要抑制K ir 3.1和/或K ir 3.4或其任何异源多聚体的情况。
• Aryloxypropanolamines, methods of preparation thereof and use of aryloxypropanolamines as medicaments
  申请人：4SC AG

  公开号：EP1947103A1

  公开（公告）日：2008-07-23

  This invention relates to novel aryloxypropanolamines. The invention also relates to the pharmaceutically acceptable salts and solvates containing said compounds, methods for the preparation thereof and to respective synthesis intermediates. Said compounds have agonistic activity at β3 adrenergic receptors and are useful for treatment of ailments influenced by activation of β3 adrenergic receptors.

  本发明涉及新型芳氧基丙醇胺。该发明还涉及含有所述化合物的药学上可接受的盐和溶剂化物，其制备方法以及相应的合成中间体。所述化合物在β3肾上腺素能受体上具有激动作用，并且可用于治疗受到β3肾上腺素能受体激活影响的疾病。
• ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS
  申请人：Tasler Stefan

  公开号：US20080249114A1

  公开（公告）日：2008-10-09

  This invention relates to novel aryloxypropanolamines. The invention also relates to the pharmaceutically acceptable salts and solvates containing said compounds, methods for the preparation thereof and to respective synthetic intermediates. Said compounds have agonistic activity at β3 adrenergic receptors and are useful for treatment of ailments influenced by activation of β3 adrenergic receptors.

  本发明涉及新型芳氧基丙醇胺。该发明还涉及含有所述化合物的药学上可接受的盐和溶剂化合物，其制备方法以及相应的合成中间体。所述化合物在β3肾上腺素能受体上具有激动活性，并且可用于治疗受β3肾上腺素能受体激活影响的疾病。
• Aryloxypropanolamines, methods of preparation therof and use of aryloxypropanolamines as medicaments
  申请人：4SC AG

  公开号：US08207174B2

  公开（公告）日：2012-06-26

  This invention relates to novel aryloxypropanolamines. The invention also relates to the pharmaceutically acceptable salts and solvates containing said compounds, methods for the preparation thereof and to respective synthetic intermediates. Said compounds have agonistic activity at β3 adrenergic receptors and are useful for treatment of ailments influenced by activation of β3 adrenergic receptors.

  本发明涉及新颖的芳氧基丙醇胺。本发明还涉及含有该化合物的药学上可接受的盐和溶剂、其制备方法及相应的合成中间体。该化合物在β3肾上腺素能受体上具有激动作用，可用于治疗受β3肾上腺素能受体激活影响的疾病。
• THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS
  申请人：XENTION LIMITED

  公开号：US20160152634A1

  公开（公告）日：2016-06-02

  The present invention provides compounds of formula (I): (Formula (I)); wherein A, R 1 , R 2 , R 3 I , V, X, and Z are defined herein, which are potassium channel inhibitors. The invention further provides pharmaceutical compositions comprising the compounds of formula (I) and their use in therapy, in particular in treatment of diseases or conditions that are mediated by K ir 3.1 and/or K ir 3.4 or any heteromultimers thereof, or that require inhibition of K ir 3.1 and/or K ir 3.4 or any heteromultimers thereof.

  本发明提供了式(I)的化合物：(式(I))；其中A、R1、R2、R3I、V、X和Z在此定义，它们是钾通道抑制剂。本发明还提供了包含式(I)化合物的制药组合物及其在治疗中的应用，特别是在治疗由Kir3.1和/或Kir3.4或其任何异源多聚体介导的疾病或病情，或需要抑制Kir3.1和/或Kir3.4或其任何异源多聚体的情况下的应用。