4-(2-methyl-1,1,1,3,3,3-hexafluoroprop-2-yl)-1-tosyl semicarbazide | 312932-39-1

• 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: 4-(2-methyl-1,1,1,3,3,3-hexafluoroprop-2-yl)-1-tosyl semicarbazide
• 英文别名: N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-tosylhydrazine-1-carboxamide；N-2-(1,1,1,3,3,3-hexafluoro-2-methylpropyl)-2-[(4-methylphenyl)sulfonyl]hydrazine-1-carboxamide；N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-[(4-methylphenyl)sulfonyl]hydrazinecarboxamide；1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[(4-methylphenyl)sulfonylamino]urea
• CAS: 312932-39-1
• 化学式: C₁₂H₁₃F₆N₃O₃S
• 分子量: 393.31
• InChiKey: UKXDZTDIEVXMQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  95.7
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4-(2-methyl-1,1,1,3,3,3-hexafluoroprop-2-yl)-1-tosyl semicarbazide 、 碘甲烷 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 2.0h， 生成 N-2-(1,1,1,3,3,3-hexafluoro-2-methylpropyl)-2-[(4-methylphenyl)sulfonyl]hydrazine-1-methylcarboxamide
  参考文献：
  名称：

  [EN] SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES
  [FR] SULFONYL SEMICARBAZIDES, SEMICARBAZIDES ET URÉES, COMPOSITIONS PHARMACEUTIQUES À BASE DE CEUX-CI, ET PROCÉDÉS DE TRAITEMENT DES VIRUS RESPONSABLES DES FIÈVRES HÉMORRAGIQUES, COMPRENANT DES INFECTIONS ASSOCIÉES À DES ARÉNAVIRUS

  摘要：

  本文揭示了利用某些新型半卡巴肼、磺酰基卡巴肼、脲及相关化合物以治疗病毒感染的复合物、方法和制药组合物，通过在治疗有效量下给药。本文还揭示了制备这些化合物的方法以及使用这些化合物和其制药组合物的方法。具体而言，揭示了治疗和预防由出血热病毒引起的病毒感染，包括但不限于Arenaviridae（Junin，Machupo，Guanavito，Sabia和Lassa），Filoviridae（埃博拉和马尔堡病毒），Flaviviridae（黄热病，奥木斯克出血热和Kyasanur Forest病毒）以及Bunyaviridae（裂谷热）。

  公开号：

  WO2012060820A1
• 作为产物：
  描述：

  (1,1,1,3,3,3-hexafluoro-2-methylprop-2-yl)isocyanate 、 对甲苯磺酰肼 以 苯 为溶剂， 反应 1.0h， 以96%的产率得到4-(2-methyl-1,1,1,3,3,3-hexafluoroprop-2-yl)-1-tosyl semicarbazide
  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

• Synthesis of 1,1-bis(trifluoromethyl)alkyl isocyanates, carbamates, and ureas
  作者：A. V. Popov、A. N. Pushin、E. L. Luzina

  DOI：10.1007/bf02495761

  日期：2000.7

  A convenient preparative method for the synthesis of 1,1-bis(trifluoromethyl)alkyl isocyanates was proposed. The reactions of the isocyanates with alcohols, phenols, and alkyl-, aryl-. and hetarylamines were studied.
• WO2006/62898
  申请人：——

  公开号：——

  公开（公告）日：——
• Sulfonyl Semicarbazides, Semicarbazides and Ureas, Pharmaceutical Compositions Thereof, and Methods for Treating Hemorrhagic Fever Viruses, Including Infections Associated with Arena Viruses
  申请人：Deng Yijun

  公开号：US20090203675A1

  公开（公告）日：2009-08-13

  Compounds, methods and pharmaceutical compositions for treating viral infections, by administering certain novel semicarbazides, sulfonyl carbazides, 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, Guanavito, Sabia and Lassa), Filoviridae (ebola and Marburg viruses), Flaviviridae (yellow fever, omsk hemorrhagic fever and Kyasanur Forest disease viruses), and Bunyaviridae (Rift Valley fever).
• 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).