4-trifluoromethyl-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-6-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-trifluoromethyl-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-6-one
• 英文别名: 3-methyl-6-oxo-4-trifluoromethyl-1-phenylpyrazolo[4,5-b]pyridine；1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol；3-methyl-1-phenyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one
• 化学式: C₁₄H₁₀F₃N₃O
• mdl: MFCD03475931
• 分子量: 293.248
• InChiKey: OHDNJHMRIZHSHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-trifluoromethyl-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-6-one 在 三氯氧磷 作用下， 反应 3.0h， 以87%的产率得到3-methyl-1-phenyl-4-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-6-yl phosphoric acid dichloroanhydride
  参考文献：
  名称：

  Electron-Rich Amino Heterocyclesfor Regiospecific Synthesis of Trifluoro­methyl-ContainingFused Pyridines

  摘要：

  研究了4,4,4-三氟-3-氧代丁酸酯与相应的富电子氨基杂环化合物的反应。提出了一种简单灵活的通用程序，用于三氟甲基吡啶环与富电子氨基杂环的区域特异性环化反应。获得了一系列CF3含有的融合吡啶，产率几乎达到定量。

  DOI：

  10.1055/s-2003-40520
• 作为产物：
  描述：

  5-氨基-3-甲基-1-苯基吡唑 、 三氟乙酰乙酸乙酯 以 溶剂黄146 为溶剂， 以86%的产率得到4-trifluoromethyl-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-6-one
  参考文献：
  名称：

  Electron-Rich Amino Heterocyclesfor Regiospecific Synthesis of Trifluoro­methyl-ContainingFused Pyridines

  摘要：

  研究了4,4,4-三氟-3-氧代丁酸酯与相应的富电子氨基杂环化合物的反应。提出了一种简单灵活的通用程序，用于三氟甲基吡啶环与富电子氨基杂环的区域特异性环化反应。获得了一系列CF3含有的融合吡啶，产率几乎达到定量。

  DOI：

  10.1055/s-2003-40520

文献信息

• Novel therapeutic target for protozoal diseases
  申请人：Rathore Dharmender

  公开号：US20070148185A1

  公开（公告）日：2007-06-28

  A novel Hemozoin Detoxification Protein (HDP) from Plasmodium and related parasites is provided as a target for therapeutic intervention in diseases caused by the parasites. HDP has been shown to play a critical role in adhesion to, or invasion into, host cells by the parasite. Furthermore, HDP catalyzes the neutralization of heme by the parasite, by promoting its polymerization into hemozoin. This invention provides methods and compositions for therapies based on the administration of protein, DNA or cell-based vaccines and/or antibodies based on HDP, or antigenic epitopes of HDP, either alone or in combination with other parasite antigens. Methods for the development and use of compounds that inhibit the catalytic activity of HDP, and diagnostic and laboratory methods utilizing HDP are also provided. HDP is also referred to herein as Fasciclin Related Adhesive Protein (FRAP).
• Electron-Rich Amino Heterocyclesfor Regiospecific Synthesis of Trifluoro­methyl-ContainingFused Pyridines
  作者：Dmitriy M. Volochnyuk、Alexei O. Pushechnikov、Dmitriy G. Krotko、Dmitriy A. Sibgatulin、Svetlana A. Kovalyova、Andrei A. Tolmachev

  DOI：10.1055/s-2003-40520

  日期：——

  The reaction of 4,4,4-trifluoro-3-oxobutanoates with the corresponding electron-rich amino heterocycles was investigated. A simple and flexible general procedure for the regiospecific annulation of the trifluoromethylpyridine ring to electron-rich amino heterocycles was proposed. A set of CF3-containing fused pyridines in almost quantitative yield was obtained.

  研究了4,4,4-三氟-3-氧代丁酸酯与相应的富电子氨基杂环化合物的反应。提出了一种简单灵活的通用程序，用于三氟甲基吡啶环与富电子氨基杂环的区域特异性环化反应。获得了一系列CF3含有的融合吡啶，产率几乎达到定量。