5-amino-1-isobutyl-1H-pyrazole-4-carboxamide | 959432-42-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-amino-1-isobutyl-1H-pyrazole-4-carboxamide
• 英文别名: 5-amino-1-isobutyl-1H-pyrazole-4-carboxylic acid amide；1H-Pyrazole-4-carboxaMide, 5-aMino-1-(2-Methylpropyl)-；5-amino-1-(2-methylpropyl)pyrazole-4-carboxamide
• CAS: 959432-42-9
• 化学式: C₈H₁₄N₄O
• 分子量: 182.225
• InChiKey: ZGUOXDFUBHACIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  86.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-amino-1-isobutyl-1H-pyrazole-4-carboxamide 、 (±)-(3,4-trans)-methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate 在 sodium hydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 trans-6-(1-benzyl-4-methylpyrrolidin-3-yl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
  参考文献：
  名称：

  Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy

  摘要：

  By use of chemical enablement and prospective design, it novel series of selective, brain penetrant PDE9A inhibitors have been identified that are capable of producing in vivo elevations of brain cGMP.

  DOI：

  10.1021/jm9015334
• 作为产物：
  描述：

  (2-甲基丙基)肼 、 乙氧基亚甲基丙二腈 在 双氧水 、 Ammonium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 48.0h， 生成 5-amino-1-isobutyl-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy

  摘要：

  By use of chemical enablement and prospective design, it novel series of selective, brain penetrant PDE9A inhibitors have been identified that are capable of producing in vivo elevations of brain cGMP.

  DOI：

  10.1021/jm9015334

文献信息

• TRICYCLIC PIPERAZINE DERIVATIVE
  申请人：Sunovion Pharmaceuticals Inc.

  公开号：US20160083391A1

  公开（公告）日：2016-03-24

  Disclosed are compounds useful as inhibitors of Phosphodiesterase 1 (PDE1), compositions thereof, and methods of using the same.

  揭示了作为磷酸二酯酶1（PDE1）抑制剂有用的化合物，以及它们的组合物和使用方法。
• Substituted pyrazolopyrimidines
  申请人：Bacon R. Edward

  公开号：US20070281949A1

  公开（公告）日：2007-12-06

  The present invention is related to chemical compositions, processes for the preparation thereof and uses of the composition. Particularly, the present invention relates to compositions that include substituted heterobicyclic pyrimidines of Formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, W, and ring A are as defined herein; pharmaceutical compositions of substituted heterobicyclic pyrimidines of Formula (I); and their use in the treatment of chronic neurodegenerative diseases, neurotraumatic diseases, depression and/or diabetes. More particularly, the present invention relates to substituted pyrazolopyrimidines of Formula (I).

  本发明涉及化学组合物、其制备方法以及组合物的用途。特别是，本发明涉及包括式（I）的取代杂环嘧啶的组合物：其中R1、R2、R3、R4、R5、X、W和环A如本文所定义；取代杂环嘧啶的药物组合物；以及它们在治疗慢性神经退行性疾病、神经创伤性疾病、抑郁症和/或糖尿病中的用途。更具体地，本发明涉及式（I）的取代吡唑嘧啶。
• SUBSTITUTED BICYCLIC PYRIMIDINES
  申请人：Bacon Edward R.

  公开号：US20110053920A1

  公开（公告）日：2011-03-03

  The present invention is related to chemical compositions, processes for the preparation thereof and uses of the composition. Particularly, the present invention relates to compositions that include substituted heterobicyclic pyrimidines of Formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, W, and ring A are as defined herein; pharmaceutical compositions of substituted heterobicyclic pyrimidines of Formula (I); and their use in the treatment of chronic neurodegenerative diseases, neurotraumatic diseases, depression and/or diabetes. More particularly, the present invention relates to substituted pyrazolopyrimidines of Formula (I).

  本发明涉及化学组合物，其制备过程和组合物的用途。特别地，本发明涉及包括式（I）的取代杂双环嘧啶的组合物：其中R1，R2，R3，R4，R5，X，W和环A的定义如本文所述；取代杂双环嘧啶的药物组合物；以及它们在治疗慢性神经退行性疾病、神经创伤性疾病、抑郁症和/或糖尿病中的应用。更具体地，本发明涉及式（I）的取代吡唑并嘧啶。
• WO2022/251188
  申请人：——

  公开号：——

  公开（公告）日：——
• SUBSTITUTED PYRAZOLOPYRIMIDINES
  申请人：Cephalon, Inc.

  公开号：EP2024360A2

  公开（公告）日：2009-02-18