4,6-Dioxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo<3,4-d>pyrimidine | 15973-83-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 4,6-Dioxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo<3,4-d>pyrimidine
• 英文别名: 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4,6-dione；1-phenyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4,6(5H)-dion；1-Phenylpyrazolo<3.4-d>pyrimidin-4,6-dion；1-Phenyl-4,6-dioxo-4,5,6,7-tetrahydro-1H-pyrazolo<3,4-d>pyrimidin；1-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo<3,4-d>pyrimidin-dion-(4,6)；1-phenyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione；1-Phenyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidin-4,6-dion；1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione；1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diol；1-phenyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
• CAS: 15973-83-8
• 化学式: C₁₁H₈N₄O₂
• mdl: MFCD15203649
• 分子量: 228.21
• InChiKey: XCYIFAUPOAWICJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,6-Dioxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo<3,4-d>pyrimidine 在 氢氧化钾 、 五氯化磷 、 三氯氧磷 作用下， 生成 6-chloro-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  参考文献：
  名称：

  Potential Purine Antagonists. XII. Synthesis of 1-Alkyl(aryl)-4,6-disubstituted Pyrazolo[3,4-d]pyrimidines¹

  摘要：

  DOI：

  10.1021/jo01100a025
• 作为产物：
  描述：

  苯肼 生成 4,6-Dioxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo<3,4-d>pyrimidine
  参考文献：
  名称：

  杂环研究中的非常规化学 米特隆。吡唑啉酮-（3,4-d）-嘧啶

  摘要：

  描述了4-和6-取代的1-H-和1-苯基-吡唑并-（3,4-d）-嘧啶的合成。它从乙氧基亚甲基氰基乙酸乙酯开始，可以通过相应的2-取代的3-氨基-4-氨基乙氧基-吡唑分两步得到4-羟基-吡唑并-（3,4-d）-嘧啶。

  DOI：

  10.1002/hlca.19560390345

文献信息

• [EN] PYRAZOLO-PYRIMIDINE ANILINE COMPOUNDS<br/>[FR] COMPOSES DE PYRAZOLO-PYRIMIDINE ANILINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003099820A1

  公开（公告）日：2003-12-04

  Compounds having the formula (I), where all substituents are as defined herein, and pharmaceutically acceptable salts, prodrugs, and solvates thereof, are useful as kinase inhibitors.

  具有式(I)的化合物，其中所有取代基如本文所定义，并且其药用可接受的盐、前药和溶剂化合物对于作为激酶抑制剂是有用的。
• Compounds inhibiting the aggregation of superoxide dismutase-1
  申请人：Lansbury Peter

  公开号：US20060194821A1

  公开（公告）日：2006-08-31

  The invention is directed to methods of inhibiting the rate at which superoxide dismutse-1 (SOD) aggregates using compounds that stabilize SOD dimers. The methods are useful in the study and therapy of amyotrophic lateral sclerosis. The invention also includes assays that can be used to identify compounds that stabilize dimers and SOD molecules that have been modified for use in these assays.

  本发明涉及使用稳定SOD二聚体的化合物来抑制超氧化物歧化酶-1（SOD）聚集的速率的方法。该方法在进行肌萎缩侧索硬化的研究和治疗中非常有用。本发明还包括可用于识别稳定二聚体化合物和已经改性用于这些测定的SOD分子的测定方法。
• Pyrazolo-pyrimidine aniline compounds useful as kinase inhibitors
  申请人：——

  公开号：US20040023992A1

  公开（公告）日：2004-02-05

  Compounds having the formula (I), where all substituents are as defined herein, 1 and pharmaceutically acceptable salts, prodrugs, and solvates thereof, are useful as kinase inhibitors.

  具有公式（I）的化合物，其中所有取代基如此定义，以及其药学上可接受的盐，前药和溶剂化物，可用作激酶抑制剂。
• Heterocyclische β-Enaminoester; 35¹. Heteroanellierte Uracile mittels Chlorosulfonyl-isocyanat und sulfonylanaloge Uracile mittels Sulfamidsäure-chloriden
  作者：Heinrich Wamhoff、Mümtaz Ertas

  DOI：10.1055/s-1985-31151

  日期：——
• Pyrazolo-pyrimidines: A novel heterocyclic scaffold for potent and selective p38α inhibitors
  作者：Jagabandhu Das、Robert V. Moquin、Sidney Pitt、Rosemary Zhang、Ding Ren Shen、Kim W. McIntyre、Kathleen Gillooly、Arthur M. Doweyko、John S. Sack、Hongjian Zhang、Susan E. Kiefer、Kevin Kish、Murray McKinnon、Joel C. Barrish、John H. Dodd、Gary L. Schieven、Katerina Leftheris

  DOI：10.1016/j.bmcl.2008.03.019

  日期：2008.4

  The synthesis and structure-activity relationships ( SAR) of p38 alpha MAP kinase inhibitors based on a pyrazolo-pyrimidine scaffold are described. These studies led to the identification of compound 2x as a potent and selective inhibitor of p38 alpha MAP kinase with excellent cellular potency toward the inhibition of TNF alpha production. Compound 2x was highly efficacious in vivo in inhibiting TNF alpha production in an acute murine model of TNF alpha production. X-ray co-crystallography of a pyrazolo-pyrimidine analog 2b bound to unphosphorylated p38 alpha is also disclosed. (C) 2008 Elsevier Ltd. All rights reserved.