3-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | 14246-71-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
• 英文别名: 3-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one；3-phenylallopurinol；3-Phenylpyrazolo<3,4-d>pyrimidin-1H,5H-on-(4), 3-Phenyl-5H-pyrazolo<3,4-d>pyrmidinon-(4)；3-Phenylpyrazolo<3,4-d>pyrimidin-1H,5H-on-(4)；4-Hydroxy-3-phenylpyrazolo<3,4-d>pyrimidin；3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol；3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• CAS: 14246-71-0
• 化学式: C₁₁H₈N₄O
• 分子量: 212.211
• InChiKey: KCPLJPHQKPGNHT-UHFFFAOYSA-N

物化性质

• 熔点：
  360 °C
• 沸点：
  608.9±43.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 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：
  70.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 在 N,N-二甲基甲酰胺 氯化亚砜 、 碳酸氢钠 作用下， 以 水 为溶剂， 反应 3.0h， 以100%的产率得到4-chloro-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  [EN] KINASE MODULATORS AND METHODS OF USE
  [FR] MODULATEURS DES PROTEINES KINASES ET LEURS METHODES D'UTILISATION

  摘要：

  公开号：

  WO2005117909A3
• 作为产物：
  描述：

  3-溴-1,5-二氢-4H-吡唑并[3,4-D]嘧啶-4-酮 在 4-二甲氨基吡啶 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 生成 3-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  参考文献：
  名称：

  Selective Inhibitors of Bacterial t-RNA-(N¹G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain

  摘要：

  The tRNA-(N(1)G37) methyltransferase (TrmD) is essential for growth and highly conserved in both Gram-positive and Gram-negative bacterial pathogens. Additionally, TrmD is very distinct from its human orthologue TRM5 and thus is a suitable target for the design of novel antibacterials. Screening of a collection of compound fragments using Haemophilus influenzae TrmD identified inhibitory, fused thieno-pyrimidones that were competitive with S-adenosylmethionine (SAM), the physiological methyl donor substrate. Guided by X-ray cocrystal structures, fragment 1 was elaborated into a nanomolar inhibitor of a broad range of Gram-negative TrmD isozymes. These compounds demonstrated no activity against representative human SAM utilizing enzymes, PRMT1 and SET7/9. This is the first report of selective, nanomolar inhibitors of TrmD with demonstrated ability to order the TrmD lid in the absence of tRNA.

  DOI：

  10.1021/jm400718n

文献信息

• Lyxofuranosyl analogues of adenosine
  申请人：Gensia, Inc.

  公开号：US05506347A1

  公开（公告）日：1996-04-09

  Novel lyxose derivatives which selectively inhibit adenosine kinase and methods of preparing these compounds are provided. These compounds are useful in treating certain conditions in vivo which may be ameliorated by increased local concentrations of adenosine.

  提供了一种新颖的利用甘露糖衍生物选择性抑制腺苷激酶的方法以及制备这些化合物的方法。这些化合物在治疗某些在体内可以通过增加局部腺苷浓度改善的疾病条件中是有用的。
• PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：The Regents of the University of California

  公开号：US20160168151A1

  公开（公告）日：2016-06-16

  This invention generally relates to pyrazolo pyrimidine derivatives useful as, inter alia, inhibitors of short chain dehydrogenase/reductase (SDR) family of NAD(P)(H) dependent oxido-reductases. More specifically, the invention relates to pyrazolo pyrimidine derivatives, including derivatives and analogs of SDR inhibitors, pharmaceutical compositions containing derivatives and analogs of SDR inhibitors, methods of making derivatives and analogs of SDR inhibitors and methods of use thereof.

  本发明通常涉及作为短链脱氢酶/还原酶（SDR）家族NAD（P）（H）依赖性氧化还原酶的抑制剂的吡唑嘧啶衍生物。更具体地，本发明涉及吡唑嘧啶衍生物，包括SDR抑制剂的衍生物和类似物，含有SDR抑制剂的衍生物和类似物的制药组合物，制备SDR抑制剂的衍生物和类似物的方法以及其使用方法。
• Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof
  申请人：Tanaka Masahiro

  公开号：US20120065154A1

  公开（公告）日：2012-03-15

  This invention generally relates to pyrazolo pyrimidine derivatives useful as, inter alia, inhibitors of short chain dehydrogenase/reductase (SDR) family of NAD(P)(H) dependent oxido-reductases. More specifically, the invention relates to pyrazolo pyrimidine derivatives, including derivatives and analogs of SDR inhibitors, pharmaceutical compositions containing derivatives and analogs of SDR inhibitors, methods of making derivatives and analogs of SDR inhibitors and methods of use thereof.

  本发明通常涉及吡唑并嘧啶衍生物，可用作短链脱氢酶/还原酶（SDR）家族的NAD（P）（H）依赖性氧化还原酶的抑制剂等。更具体地，本发明涉及吡唑并嘧啶衍生物，包括SDR抑制剂的衍生物和类似物，含有SDR抑制剂的衍生物和类似物的制药组合物，制备SDR抑制剂的衍生物和类似物的方法以及使用它们的方法。
• ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES
  申请人：GENSIA, INC.

  公开号：EP0684953A1

  公开（公告）日：1995-12-06
• EP0684953A4
  申请人：——

  公开号：EP0684953A4

  公开（公告）日：1999-12-22