2,6-Difluoro-4-(propan-2-yl)aniline | 1452007-20-3

• 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: 2,6-Difluoro-4-(propan-2-yl)aniline
• 英文别名: 2,6-difluoro-4-propan-2-ylaniline
• CAS: 1452007-20-3
• 化学式: C₉H₁₁F₂N
• 分子量: 171.19
• InChiKey: LBHAEZGJMUWOBA-UHFFFAOYSA-N

物化性质

• 沸点：
  194.4±35.0 °C(Predicted)
• 密度：
  1.139±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzonitrile 、 2,6-Difluoro-4-(propan-2-yl)aniline 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 4-((4-chloro-6-((4-isopropyl-2,6-fluorophenyl)amino)-1,3,5-triazin-2-yl)amino)benzonitrile
  参考文献：
  名称：

  Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility

  摘要：

  Non-nucleoside inhibitors of HIV-1 reverse transcriptase are reported that have ca. 100-fold greater solubility than the structurally related drugs etravirine and rilpivirine, while retaining high anti-viral activity. The solubility enhancements come from strategic placement of a morpholinylalkoxy substituent in the entrance channel of the NNRTI binding site. Compound 4d shows low-nanomolar activity similar to etravirine towards wild-type HIV-1 and key viral variants. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.091

文献信息

• ANTIBACTERIAL COMPOUNDS
  申请人：REDX PHARMA PLC

  公开号：US20170158708A1

  公开（公告）日：2017-06-08

  The invention relates to antibacterial and anti-mycobacterial drug compounds of formula I. It also relates to pharmaceutical formulations of antibacterial drug compounds. It also relates to uses of the derivatives in treating bacterial infections, and methods of treating bacterial infections. The invention is also directed to antibacterial drug compounds capable of treating bacterial infections that are currently hard to treat with existing drug compounds, e.g., those caused by resistant bacterial or mycobacterial strains.