3-(4-Fluorophenyl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione

• 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: 3-(4-Fluorophenyl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione
• 化学式: C₁₃H₁₁FO₃
• 分子量: 234.22
• InChiKey: URYAHKRMGGSXND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• 4-Squarylpiperazine Derivatives as Antiviral Agents
  申请人：Bachand Carol

  公开号：US20070249624A1

  公开（公告）日：2007-10-25

  This disclosure provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the disclosure is concerned with 4-squarylpiperazine derivatives that possess unique antiviral activity. More particularly, the present disclosure relates to compounds useful for the treatment of HIV and AIDS.

  本公开提供具有药物和生物影响特性的化合物，它们的药物组合物和使用方法。具体而言，该公开涉及具有独特抗病毒活性的4-四氢喹啉基哌嗪衍生物。更具体地说，本公开涉及用于治疗艾滋病毒和艾滋病的化合物。
• ELECTROLYTE CONTAINING OXOCARBON MOLECULE AND USE THEREOF
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1895613A1

  公开（公告）日：2008-03-05

  The present invention provides, as an electrolyte which is useful as a material for a proton conductive membrane in a solid polymer fuel cell utilizing a gas fuel such as hydrogen gas or a liquid fuel such as methanol or dimethyl ether and which has higher proton conductivity than the conventional electrolytes do, an electrolyte characterized by containing an oxocarbon molecule, wherein the oxocarbon molecule has a difference in heat of formation ΔE defined as: ΔE = E2-E1 (kcal/mol) satisfying the range of: ΔE<-70 (kcal/mol), wherein E1 (kcal/mol) is a heat of formation in the state where a hydrogen ion is non-dissociated, and E2 (kcal/mol) is a heat of formation in the state where a hydrogen having the lowest dissociation energy in the molecule ion is dissociated, both being calculated in regard to the stabilized molecular structure in accordance with a molecular orbital method.

  本发明提供了一种电解质，作为利用气体燃料（如氢气）或液体燃料（如甲醇或二甲醚）的固体聚合物燃料电池中质子传导膜的材料，该电解质比传统电解质具有更高的质子传导性，其特征在于含有氧化碳分子，其中氧化碳分子的形成热差值ΔE定义为：ΔE＝E2-E1（千卡/摩尔），ΔE＜-70（千卡/摩尔），ΔE＜-70（千卡/摩尔），ΔE＜-70（千卡/摩尔），ΔE＜-70（千卡/摩尔）： ΔE＝E2-E1（千卡/摩尔），满足：ΔE<-70（千卡/摩尔）的范围、 其中，E1（千卡/摩尔）是氢离子未离解状态下的形成热，E2（千卡/摩尔）是分子离子中离解能最低的氢离解状态下的形成热，二者都是根据分子轨道法计算的稳定分子结构。
• 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2013170A1

  公开（公告）日：2009-01-14
• US7501419B2
  申请人：——

  公开号：US7501419B2

  公开（公告）日：2009-03-10
• [EN] 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DÉRIVÉS DE 4-SQUARYLPIPÉRAZINE UTILISÉS EN TANT QU'AGENTS ANTIVIRAUX
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2007127731A1

  公开（公告）日：2007-11-08

  [EN] This disclosure provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the disclosure is concerned with 4-squarylpiperazine derivatives that possess unique antiviral activity. More particularly, the present disclosure relates to compounds useful for the treatment of HIV and AIDS.
  [FR] L'invention concerne des composés présentant des propriétés médicamenteuses et bioactives, des compositions pharmaceutiques les contenant, et une méthode d'utilisation associée. L'invention concerne en particulier des dérivés de 4-squarylpipérazine présentant une activité antivirale unique. L'invention concerne plus particulièrement des composés à utiliser dans le traitement du VIH et du SIDA.