1-(2-Furylmethyl)-3-(2-methoxyphenyl)thiourea | 78194-70-4

• 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: 1-(2-Furylmethyl)-3-(2-methoxyphenyl)thiourea
• 英文别名: 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea
• CAS: 78194-70-4
• 化学式: C₁₃H₁₄N₂O₂S
• 分子量: 262.33
• InChiKey: QWSMHDHCWJOETE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  47.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• [EN] NOVEL REVERSE TRANSCRIPTASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE TRANSCRIPTASE INVERSE
  申请人：UNIV RAMOT

  公开号：WO2009069132A2

  公开（公告）日：2009-06-04

  Compounds that are capable of inhibiting an activity of a reverse transcriptase are disclosed. Further disclosed are pharmaceutical compositions containing these compounds, and methods of inhibiting an activity of reverse transcriptase and/or of a mutant thereof and of treating an infection caused by a retrovirus, utilizing these compounds. The disclosed compounds are either identified by computational means or are designed and newly prepared based on structural features identified, at least in part, by computational means. Thus, further disclosed is a method of identifying candidate compounds for inhibiting an activity of a wild type reverse transcriptase and/or for treating a viral infection caused by a retrovirus.