| 1594966-36-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1594966-36-5
• 化学式: C₂₆H₁₈FNO₄
• 分子量: 427.432
• InChiKey: RQVAZNXPYABAEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.05
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  68.53
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  ethyl 4-[1-(4-phenylbenzyl)-5-fluoro-1H-indol-3-yl]-2-hydroxy-4-oxobut-2-enoate 在 聚合甲醛 、 sodium hydroxide 作用下， 以 甲醇 、 乙醚 、 水 为溶剂， 反应 3.5h， 生成
  参考文献：
  名称：

  A new potential approach to block HIV-1 replication via protein–protein interaction and strand-transfer inhibition

  摘要：

  Therapeutic treatment of AIDS is recently characterized by a crescent effort towards the identification of multiple ligands able to target different steps of HIV-1 life cycle. Taking into consideration our previously obtained SAR information and combining some important chemical structural features we report herein the synthesis of novel benzyl-indole derivatives as anti-HIV agents. Through this work we identified new dual target small molecules able to inhibit both IN-LEDGF/p75 interaction and the IN strand-transfer step considered as two crucial phases of viral life cycle. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.012

文献信息

• A new potential approach to block HIV-1 replication via protein–protein interaction and strand-transfer inhibition
  作者：Stefania Ferro、Laura De Luca、Giuseppa Lo Surdo、Francesca Morreale、Frauke Christ、Zeger Debyser、Rosaria Gitto、Alba Chimirri

  DOI：10.1016/j.bmc.2014.02.012

  日期：2014.4

  Therapeutic treatment of AIDS is recently characterized by a crescent effort towards the identification of multiple ligands able to target different steps of HIV-1 life cycle. Taking into consideration our previously obtained SAR information and combining some important chemical structural features we report herein the synthesis of novel benzyl-indole derivatives as anti-HIV agents. Through this work we identified new dual target small molecules able to inhibit both IN-LEDGF/p75 interaction and the IN strand-transfer step considered as two crucial phases of viral life cycle. (c) 2014 Elsevier Ltd. All rights reserved.