7-isopropyl-N-(4-methoxybenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 7-isopropyl-N-(4-methoxybenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• 英文别名: US10239882, Example 10；N-[(4-methoxyphenyl)methyl]-5-methyl-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• 化学式: C₁₇H₂₁N₅O
• 分子量: 311.387
• InChiKey: PMUPKLUVELHPML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  64.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-((4-methoxybenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 在 吡啶 、 iron(III) acetate 、 三氯氧磷 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 7.0h， 生成 7-isopropyl-N-(4-methoxybenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
  参考文献：
  名称：

  [EN] SUBSTITUTED 5-METHYL-[1, 2, 4] TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS
  [FR] COMPOSÉS 5-MÉTHYL-[1, 2, 4]-TRIAZOLO-[1,5-A)-PYRIMIDIN-2-AMINES SUBSTITUÉS UTILISÉS COMME INHIBITEURS DE PDE2

  摘要：

  该发明提供了化学实体的化学式(I): (I)，其中R1、R2、R3和R4具有本文所述的任何值，以及包含这种化学实体的组合物；制备它们的方法；以及它们在广泛的方法中的应用，包括代谢和反应动力学研究；检测和成像技术；放射性治疗；调节和治疗由PDE2活性介导的疾病；治疗神经系统疾病、中枢神经系统疾病、痴呆、神经退行性疾病和创伤相关的功能丧失；治疗中风，包括中风康复期间的认知和运动缺陷；促进神经保护和神经恢复；增强认知和运动训练的效率；以及治疗外周疾病，包括血液学、心血管学、胃肠学和皮肤病。

  公开号：

  WO2016073424A1

文献信息

• Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors
  申请人：DART NEUROSCIENCE (CAYMAN) LTD.

  公开号：US10239882B2

  公开（公告）日：2019-03-26

  The invention provides a chemical entity of Formula (I): (I), wherein R1, R2, R3, and R4, have any of the values described herein, and compositions comprising such chemical entities; methods of making them; and their use in a wide range of methods, including metabolic and reaction kinetic studies; detection and imaging techniques; radioactive treatments; modulating and treating disorders mediated by PDE2 activity; treating neurological disorders, CNS disorders, dementia, neurodegenerative diseases, and trauma-dependent losses of function; treating stroke, including cognitive and motor deficits during stroke rehabilitation; facilitating neuroprotection and neurorecovery; enhancing the efficiency of cognitive and motor training; and treating peripheral disorders, including hematological, cardiovascular, gastroenterological, and dermatological disorders.

  本发明提供了式(I)的化学实体：(I)，其中 R1、R2、R3 和 R4 具有本文所述的任一值，以及包含这种化学实体的组合物；制造它们的方法；以及它们在多种方法中的用途，包括代谢和反应动力学研究；检测和成像技术；放射性治疗；调节和治疗由 PDE2 活性介导的疾病；治疗神经系统疾病、中枢神经系统疾病、痴呆症、神经退行性疾病和创伤依赖性功能丧失；治疗中风，包括中风康复期间的认知和运动障碍；促进神经保护和神经恢复；提高认知和运动训练的效率；以及治疗外周疾病，包括血液病、心血管病、肠胃病和皮肤病。
• SUBSTITUTED 5-METHYL-[1, 2, 4]TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS
  申请人：Dart NeuroScience (Cayman) Ltd.

  公开号：EP3215508A1

  公开（公告）日：2017-09-13
• SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS
  申请人：DART NEUROSCIENCE (CAYMAN) LTD.

  公开号：US20180282338A1

  公开（公告）日：2018-10-04

  The invention provides a chemical entity of Formula (I): (I), wherein R 1 , R 2 , R 3 , and R 4 , have any of the values described herein, and compositions comprising such chemical entities; methods of making them; and their use in a wide range of methods, including metabolic and reaction kinetic studies; detection and imaging techniques; radioactive treatments; modulating and treating disorders mediated by PDE2 activity; treating neurological disorders, CNS disorders, dementia, neurodegenerative diseases, and trauma-dependent losses of function; treating stroke, including cognitive and motor deficits during stroke rehabilitation; facilitating neuroprotection and neurorecovery; enhancing the efficiency of cognitive and motor training; and treating peripheral disorders, including hematological, cardiovascular, gastroenterological, and dermatological disorders.
• [EN] SUBSTITUTED 5-METHYL-[1, 2, 4] TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS<br/>[FR] COMPOSÉS 5-MÉTHYL-[1, 2, 4]-TRIAZOLO-[1,5-A)-PYRIMIDIN-2-AMINES SUBSTITUÉS UTILISÉS COMME INHIBITEURS DE PDE2
  申请人：DART NEUROSCIENCE LLC

  公开号：WO2016073424A1

  公开（公告）日：2016-05-12

  The invention provides a chemical entity of Formula (I): (I), wherein R1, R2, R3, and R4, have any of the values described herein, and compositions comprising such chemical entities; methods of making them; and their use in a wide range of methods, including metabolic and reaction kinetic studies; detection and imaging techniques; radioactive treatments; modulating and treating disorders mediated by PDE2 activity; treating neurological disorders, CNS disorders, dementia, neurodegenerative diseases, and trauma- dependent losses of function; treating stroke, including cognitive and motor deficits during stroke rehabilitation; facilitating neuroprotection and neurorecovery; enhancing the efficiency of cognitive and motor training; and treating peripheral disorders, including hematological, cardiovascular, gastroenterological, and dermatological disorders.

  该发明提供了化学实体的化学式(I): (I)，其中R1、R2、R3和R4具有本文所述的任何值，以及包含这种化学实体的组合物；制备它们的方法；以及它们在广泛的方法中的应用，包括代谢和反应动力学研究；检测和成像技术；放射性治疗；调节和治疗由PDE2活性介导的疾病；治疗神经系统疾病、中枢神经系统疾病、痴呆、神经退行性疾病和创伤相关的功能丧失；治疗中风，包括中风康复期间的认知和运动缺陷；促进神经保护和神经恢复；增强认知和运动训练的效率；以及治疗外周疾病，包括血液学、心血管学、胃肠学和皮肤病。