N-(2-bromo-4-methyl-phenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(2-bromo-4-methyl-phenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• 英文别名: N-(2-bromo-4-methylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• 化学式: C₁₉H₁₉BrN₄OS
• 分子量: 431.356
• InChiKey: UAYWPZBCUXBLKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  85.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-溴-4-甲基苯胺 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2-bromo-4-methyl-phenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  参考文献：
  名称：

  Tri-substituted triazoles as potent non-nucleoside inhibitors of the HIV-1 reverse transcriptase

  摘要：

  A new series of 1,2,4-triazoles was synthesized and tested against several NNRTI-resistant HIV-1 isolates. Several of these compounds exhibited potent antiviral activities against efavirenz- and nevirapine-resistant viruses, containing K103N and/or Y181C mutations or Y188L mutation. Triazoles were first synthesized from commercially available substituted phenylthio-semicarbazides, then from isothiocyanates, and later by condensing the desired substituted anilines with thiosemicarbazones. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.048

文献信息

• NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS
  申请人：Girardet Jean-Luc

  公开号：US20080249131A1

  公开（公告）日：2008-10-09

  Various carbonyl amides are employed in vitro and in vivo as non-nucleoside inhibitors of a reverse transcriptase, and particularly of HIV reverse transcriptase. Therefore, contemplated compounds may be employed in the treatment of HIV infected patients. Further contemplated aspects include pharmaceutical compositions comprising therapeutically effective amounts of contemplated compounds.

  各种羰基酰胺在体外和体内被用作反转录酶的非核苷类抑制剂，尤其是HIV反转录酶的抑制剂。因此，考虑到的化合物可以用于治疗HIV感染患者。进一步考虑的方面包括包含考虑化合物的治疗有效量的制药组合物。
• Non-nucleoside reverse transcriptase inhibitors
  申请人：Ardea Biosciences, Inc.

  公开号：EP2353593A1

  公开（公告）日：2011-08-10

  Various carbonyl amides are employed in vitro and in vivo as non-nucleoside inhibitors of a reverse transcriptase, and particularly of HIV reverse transcriptase. Therefore, contemplated compounds may be employed in the treatment of HIV infected patients. Further contemplated aspects include pharmaceutical compositions comprising therapeutically effective amounts of contemplated compounds.

  各种羰基酰胺在体外和体内被用作逆转录酶，特别是 HIV 逆转录酶的非核苷抑制剂。因此，预期化合物可用于治疗艾滋病毒感染患者。进一步考虑的方面包括包含治疗有效量的预期化合物的药物组合物。