2-(3,4-dimethoxybenzoyl)-N-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)hydrazine-1-carboxamide | 714204-86-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3,4-dimethoxybenzoyl)-N-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)hydrazine-1-carboxamide
• 英文别名: 1-[(3,4-Dimethoxybenzoyl)amino]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
• CAS: 714204-86-1
• 化学式: C₁₅H₁₇F₆N₃O₄
• 分子量: 417.308
• InChiKey: NYIBCYJZNCVZDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  88.7
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,2-双(三氟甲基)丁酰氟 在 叠氮基三甲基硅烷 、 苄基三乙基氯化铵 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 4.0h， 生成 2-(3,4-dimethoxybenzoyl)-N-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)hydrazine-1-carboxamide
  参考文献：
  名称：

  1-芳酰基（1-芳基磺酰基）-4-二（三氟甲基）氨基脲烷基作为潜在的生理活性化合物

  摘要：

  1,1-双（三氟甲基）全氟异丁烯从（PFIB）获得的异氰酸烷基酯与芳酰基（芳基磺酰基）肼反应。合成了28种预期的具有生物活性的多氟化1,4-取代的氨基脲。每一个新产品的结构进行了分析和光谱法证实。利平斯基的年代和格洛瓦尼的参数，然后计算。两次调整的五个利平斯基的规则建议氟化候选药物。

  DOI：

  10.1016/j.jfluchem.2013.01.033

文献信息

• Sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses
  申请人：Dai Dongcheng

  公开号：US20100256096A1

  公开（公告）日：2010-10-07

  Compounds, methods and pharmaceutical compositions for treating viral infections, by administering certain novel sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides, ureas and related compounds in therapeutically effective amounts are disclosed. Methods for preparing the compounds and methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by hemorrhagic fever viruses is disclosed, i.e., including but not limited to, Arenaviridae (Junin, Machupo, Guanarito, Sabia, Lassa, Tacaribe, Pinchinde, and VSV), Filoviridae (ebola and Marburg viruses), Flaviviridae (yellow fever, omsk hemorrhagic fever and Kyasanur Forest disease viruses), and Bunyaviridae (Rift Valley fever).
• Sulfonyl semicarbazides, semicarbazides and ureas, pharmaceutical compositions thereof, and methods for treating hemorrhagic fever viruses, including infections associated with arenaviruses
  申请人：Dai Dongcheng

  公开号：US20110118505A1

  公开（公告）日：2011-05-19

  Compounds, methods and pharmaceutical compositions for treating viral infections, by administering certain novel sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides, ureas and related compounds in therapeutically effective amounts are disclosed. Methods for preparing the compounds and methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by hemorrhagic fever viruses is disclosed, i.e., including but not limited to, Arenaviridae (Junin, Machupo, Guanarito, Sabia, Lassa, Tacaribe, Pinchinde, and VSV), Filoviridae (ebola and Marburg viruses), Flaviviridae (yellow fever, omsk hemorrhagic fever and Kyasanur Forest disease viruses), and Bunyaviridae (Rift Valley fever).
• SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENA VIRUSES
  申请人：DAI DONGCHENG

  公开号：US20130261087A1

  公开（公告）日：2013-10-03

  Compounds, methods and pharmaceutical compositions for treating viral infections, by administering certain novel sulfonyl semicarbazides, carbonyl semicarbazides, semicarbazides, ureas and related compounds in therapeutically effective amounts are disclosed. Methods for preparing the compounds and methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by hemorrhagic fever viruses is disclosed, i.e., including but not limited to, Arenaviridae (Junin, Machupo, Guanarito, Sabia, Lassa, Tacaribe, Pinchinde, and VSV), Filoviridae (ebola and Marburg viruses), Flaviviridae (yellow fever, omsk hemorrhagic fever and Kyasanur Forest disease viruses), and Bunyaviridae (Rift Valley fever).
• US7994221B2
  申请人：——

  公开号：US7994221B2

  公开（公告）日：2011-08-09
• US8658697B2
  申请人：——

  公开号：US8658697B2

  公开（公告）日：2014-02-25