1-(2-氨基-5-氯-6-氟苯基)-2,2,2-三氟乙酮 | 277301-95-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-氨基-5-氯-6-氟苯基)-2,2,2-三氟乙酮
• 英文名称: 1-(2-amino-5-chloro-6-fluorophenyl)-2,2,2-trifluoroethanone
• 英文别名: 1-(6-Amino-3-chloro-2-fluorophenyl)-2,2,2-trifluoroethanone
• CAS: 277301-95-8
• 化学式: C₈H₄ClF₄NO
• 分子量: 241.572
• InChiKey: HULNAKQVPZSBCK-UHFFFAOYSA-N

物化性质

• 沸点：
  287.9±40.0 °C(Predicted)
• 密度：
  1.550±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2922399090

反应信息

• 作为反应物：
  描述：

  1-(2-氨基-5-氯-6-氟苯基)-2,2,2-三氟乙酮 在 4 A molecular sieve 、 溶剂黄146 作用下， 以 xylene 为溶剂， 生成 6-chloro-5-fluoro-4-trifluoromethylquinazolin-2(1H)-one
  参考文献：
  名称：

  Inhibition of Clinically Relevant Mutant Variants of HIV-1 by Quinazolinone Non-Nucleoside Reverse Transcriptase Inhibitors

  摘要：

  A series of 4-alkenyl and 4-alkynyl-3,4-dihydro-4-(trifluoromethyl)-2-(1H)-quinazolinones were found to be potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) of human immunodeficiency virus type-1 (HIV-1). The 4-alkenyl-3,4-dihydro-4-(trifluoromethyl) quinazolinones DPC 082 and DPC 083 and the 4-alkynyl-3,4-dihydro-4-(trifluoromethyl) (LK)-quinazolinones DPC 961 and DPC 963 were found to exhibit low nanomolar potency toward wild-type RF virus (IC90 = 2.0, 2.1, 2.0, and 1.3 nM, respectively) and various single and many multiple amino acid substituted HIV-1 mutant viruses.-The increased potency is combined with favorable plasma serum protein binding as demonstrated by improvements in the percent free drug in human plasma when compared to efavirenz: 3.0%, 2.0%, 1.5% 2.8%, and 0.2- 0.5% for DPC 082, DPC 083, DPC 961, DPC 963, and efavirenz, respectively.

  DOI：

  10.1021/jm990580e
• 作为产物：
  描述：

  N-(3-氟-苯基)-2,2-二甲基-丙酰胺 在 盐酸 、 N-氯代丁二酰亚胺 、 正丁基锂 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.33h， 生成 1-(2-氨基-5-氯-6-氟苯基)-2,2,2-三氟乙酮
  参考文献：
  名称：

  Inhibition of Clinically Relevant Mutant Variants of HIV-1 by Quinazolinone Non-Nucleoside Reverse Transcriptase Inhibitors

  摘要：

  A series of 4-alkenyl and 4-alkynyl-3,4-dihydro-4-(trifluoromethyl)-2-(1H)-quinazolinones were found to be potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) of human immunodeficiency virus type-1 (HIV-1). The 4-alkenyl-3,4-dihydro-4-(trifluoromethyl) quinazolinones DPC 082 and DPC 083 and the 4-alkynyl-3,4-dihydro-4-(trifluoromethyl) (LK)-quinazolinones DPC 961 and DPC 963 were found to exhibit low nanomolar potency toward wild-type RF virus (IC90 = 2.0, 2.1, 2.0, and 1.3 nM, respectively) and various single and many multiple amino acid substituted HIV-1 mutant viruses.-The increased potency is combined with favorable plasma serum protein binding as demonstrated by improvements in the percent free drug in human plasma when compared to efavirenz: 3.0%, 2.0%, 1.5% 2.8%, and 0.2- 0.5% for DPC 082, DPC 083, DPC 961, DPC 963, and efavirenz, respectively.

  DOI：

  10.1021/jm990580e

文献信息

• Inhibition of Clinically Relevant Mutant Variants of HIV-1 by Quinazolinone Non-Nucleoside Reverse Transcriptase Inhibitors
  作者：Jeffrey W. Corbett、Soo S. Ko、James D. Rodgers、Lisa A. Gearhart、Nicholas A. Magnus、Lee T. Bacheler、Sharon Diamond、Susan Jeffrey、Ronald M. Klabe、Beverly C. Cordova、Sena Garber、Kelly Logue、George L. Trainor、Paul S. Anderson、Susan K. Erickson-Viitanen

  DOI：10.1021/jm990580e

  日期：2000.5.1

  A series of 4-alkenyl and 4-alkynyl-3,4-dihydro-4-(trifluoromethyl)-2-(1H)-quinazolinones were found to be potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) of human immunodeficiency virus type-1 (HIV-1). The 4-alkenyl-3,4-dihydro-4-(trifluoromethyl) quinazolinones DPC 082 and DPC 083 and the 4-alkynyl-3,4-dihydro-4-(trifluoromethyl) (LK)-quinazolinones DPC 961 and DPC 963 were found to exhibit low nanomolar potency toward wild-type RF virus (IC90 = 2.0, 2.1, 2.0, and 1.3 nM, respectively) and various single and many multiple amino acid substituted HIV-1 mutant viruses.-The increased potency is combined with favorable plasma serum protein binding as demonstrated by improvements in the percent free drug in human plasma when compared to efavirenz: 3.0%, 2.0%, 1.5% 2.8%, and 0.2- 0.5% for DPC 082, DPC 083, DPC 961, DPC 963, and efavirenz, respectively.