1-(5-Chloro-pyridin-2-yl)-3-[(1S,2S)-2-(2,6-difluoro-phenyl)-cyclopropyl]-urea

• 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-(5-Chloro-pyridin-2-yl)-3-[(1S,2S)-2-(2,6-difluoro-phenyl)-cyclopropyl]-urea
• 英文别名: (1S,2S)-N-(5-Chloropyridin-2-yl)-N'-[2-(2,6-difluorophenyl)cyclopropyl]urea；1-(5-chloropyridin-2-yl)-3-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]urea
• 化学式: C₁₅H₁₂ClF₂N₃O
• 分子量: 323.73
• InChiKey: LVBIXTQEPOAWGY-SKDRFNHKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(5-Chloro-pyridin-2-yl)-3-[(1S,2S)-2-(2,6-difluoro-phenyl)-cyclopropyl]-thiourea 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-[(1S,2S)-2-(2,6-difluoro-phenyl)-cyclopropyl]-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.