2-[(1-mesityl-1H-tetrazol-5-yl)thio]-N-(2-methyl-4-nitrophenyl)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: 2-[(1-mesityl-1H-tetrazol-5-yl)thio]-N-(2-methyl-4-nitrophenyl)acetamide
• 英文别名: N-(2-methyl-4-nitro-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide；N-(2-methyl-4-nitrophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
• 化学式: C₁₉H₂₀N₆O₃S
• 分子量: 412.472
• InChiKey: XDKDRKQXCXAISG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  144
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,4,6-三甲基异硫氰酸苯酯 在 sodium hydroxide 、 sodium azide 、 五氯化磷 作用下， 以 氯仿 、 甲苯 为溶剂， 生成 2-[(1-mesityl-1H-tetrazol-5-yl)thio]-N-(2-methyl-4-nitrophenyl)acetamide
  参考文献：
  名称：

  Tetrazole thioacetanilides: Potent non-nucleoside inhibitors of WT HIV reverse transcriptase and its K103N mutant

  摘要：

  A series of aryltetrazolylacetanilides was synthesized and evaluated as HIV-1 non-nucleoside reverse transcriptase inhibitors on wild-type virus and on the clinically relevant K103N mutant strain. Extensive SAR investigation led to potent compounds, with nanomolar activity on K103N, and orally bioavailable in rats. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.024

文献信息

• Tetrazole thioacetanilides: Potent non-nucleoside inhibitors of WT HIV reverse transcriptase and its K103N mutant
  作者：Ester Muraglia、Olaf D. Kinzel、Ralph Laufer、Michael D. Miller、Gregory Moyer、Vandna Munshi、Federica Orvieto、Maria Cecilia Palumbi、Giovanna Pescatore、Michael Rowley、Peter D. Williams、Vincenzo Summa

  DOI：10.1016/j.bmcl.2006.02.024

  日期：2006.5

  A series of aryltetrazolylacetanilides was synthesized and evaluated as HIV-1 non-nucleoside reverse transcriptase inhibitors on wild-type virus and on the clinically relevant K103N mutant strain. Extensive SAR investigation led to potent compounds, with nanomolar activity on K103N, and orally bioavailable in rats. (C) 2006 Elsevier Ltd. All rights reserved.