1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)-ethyl]-urea

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)-ethyl]-urea
• 英文别名: 1-(5-Chloro-2-pyridyl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)ethyl]urea；1-(5-chloropyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-6-methoxyphenyl)ethyl]urea
• 化学式: C₁₇H₁₉ClFN₃O₃
• 分子量: 367.808
• InChiKey: QCUXORFMMDLGEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  72.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(5-氯吡啶-2-基)-3-[2-(3-乙氧基-2-氟-6-甲氧基苯基)乙基]硫脲 在 水 、 silver trifluoromethanesulfonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)-ethyl]-urea
  参考文献：
  名称：

  Synthesis and anti-HIV activities of urea-pETT analogs belonging to a new class of potent non-nucleoside HIV-1 Reverse transcriptase inhibitors

  摘要：

  A series of potent specific HIV-1 RT inhibitory compounds is described. The compounds are urea analogs of PETT (PhenylEthylThiazoleThiourea) derivatives and the series includes derivatives with an ethyl linker (1-6) and conformationally restricted analogs (7-13). The antiviral activity is determined both at the RT level and in cell culture on both native and mutant forms of HIV-1 Many compounds display activity in the nM range against wt-RT. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00249-2

文献信息

• Synthesis and anti-HIV activities of urea-pETT analogs belonging to a new class of potent non-nucleoside HIV-1 Reverse transcriptase inhibitors
  作者：Christer Sahlberg、Rolf Noréen、Per Engelhardt、Marita Högberg、Jussi Kangasmetsä、Lotta Vrang、Hong Zhang

  DOI：10.1016/s0960-894x(98)00249-2

  日期：1998.6

  A series of potent specific HIV-1 RT inhibitory compounds is described. The compounds are urea analogs of PETT (PhenylEthylThiazoleThiourea) derivatives and the series includes derivatives with an ethyl linker (1-6) and conformationally restricted analogs (7-13). The antiviral activity is determined both at the RT level and in cell culture on both native and mutant forms of HIV-1 Many compounds display activity in the nM range against wt-RT. (C) 1998 Elsevier Science Ltd. All rights reserved.