2-Methoxy-5-methylbenzothioamide | 1226148-83-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-Methoxy-5-methylbenzothioamide
• 英文别名: 2-methoxy-5-methylbenzenecarbothioamide
• CAS: 1226148-83-9
• 化学式: C₉H₁₁NOS
• 分子量: 181.258
• InChiKey: AJGHIKKOAMKRMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-溴乙酰基)吡啶 、 2-Methoxy-5-methylbenzothioamide 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Carbazole incorporated ratiometric chemosensor for Zn2+

  摘要：

  An electron donating carbazole incorporated thiazole (3) based Zn2+ selective intrinsic chemosensor has been synthesized and investigated. It was found that electron donating substituents such as methyl and carbazole on chemosensor (1) produce remarkable red shift in emission upon complexation with Zn2+. The sensor shows a selective fluorescence response with Zn2+ over biologically relevant cations (Ca2+, Mg2+, Na+, and K+) and biologically non-relevant cations (Cd2+, In3+ and Ga3+) in an aqueous ethanol system. It also produce an enhancement in the quantum yield and a longer emission wavelength shift on Zn2+ binding with the potential of a ratiometric assay. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.12.034

文献信息

• Discovery of novel P2 substituted 4-biaryl proline inhibitors of hepatitis C virus NS3 serine protease
  作者：Murray D. Bailey、Teddy Halmos、Christopher T. Lemke

  DOI：10.1016/j.bmcl.2013.05.046

  日期：2013.8

  Inhibitors of hepatitis C virus NS3 serine protease often incorporate a large P2 moiety to interact with the surface of the enzyme while shielding part of the catalytic triad. This feature is important in many inhibitors in order to have the necessary potency needed for efficacy. In this Letter we explore some new P2 motifs to further exploit this region of the enzyme. In a continuing effort to replace the often found 4-hydroxyproline P2 core found in the majority of inhibitors for this target, various directly attached aryl derivatives were evaluated. Of these, the 2,4-disubstituted thiazole core proved to be the most interesting. SAR around this motif has lead to compounds with K-i's in the high picomolar range and provided cellular potencies in the single digit nM range. (C) 2013 Elsevier Ltd. All rights reserved.