| 1143573-75-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1143573-75-4
• 化学式: C₁₃H₁₂ClNO₃S
• 分子量: 297.762
• InChiKey: ZCTYXRCHNRJRQC-UHFFFAOYSA-N

物化性质

• 沸点：
  407.1±45.0 °C(predicted)
• 密度：
  1.36±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

反应信息

• 作为反应物：
  描述：

  在 sodium hydroxide 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 1.0h， 以97%的产率得到
  参考文献：
  名称：

  Investigation on the role of the tetrazole in the binding of thiotetrazolylacetanilides with HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases

  摘要：

  The role of the tetrazole moiety in the binding of aryl thiotetrazolylacetanilides with HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases was explored. Different acyclic, cyclic and heterocyclic replacements were investigated in order to evaluate the conformational and electronic contribution of the tetrazole ring to the binding of the inhibitors in the NNRTI pocket. The replacement of the tetrazole by a pyrazolyl group led to reversal of selectivity, providing inhibitors with excellent potency against the double mutant reverse transcriptase. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.074
• 作为产物：
  描述：

  methyl 2-(1-bromo-2-(2-chloro-4-methylphenyl)-2-oxoethylthio)acetate 、 formamide 反应 1.0h， 生成
  参考文献：
  名称：

  Investigation on the role of the tetrazole in the binding of thiotetrazolylacetanilides with HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases

  摘要：

  The role of the tetrazole moiety in the binding of aryl thiotetrazolylacetanilides with HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases was explored. Different acyclic, cyclic and heterocyclic replacements were investigated in order to evaluate the conformational and electronic contribution of the tetrazole ring to the binding of the inhibitors in the NNRTI pocket. The replacement of the tetrazole by a pyrazolyl group led to reversal of selectivity, providing inhibitors with excellent potency against the double mutant reverse transcriptase. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.074