ethyl 2-[cyclohexyl-(4-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate | 827038-61-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-[cyclohexyl-(4-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
• CAS: 827038-61-9
• 化学式: C₁₉H₂₂N₂O₄S
• 分子量: 374.461
• InChiKey: VIONKJVSPPEBMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  554.4±56.0 °C(Predicted)
• 密度：
  1.314±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.0
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  79.73
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  环己基硼酸 、 ethyl 2-[cyclohexyl-(4-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate 在 吡啶 、 air 、 copper diacetate 作用下， 反应 48.0h， 生成 2-[Cyclohexyl-(4-cyclohexyloxy-benzoyl)-amino]-thiazole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Aminothiazole inhibitors of HCV RNA polymerase

  摘要：

  Aminothiazole-based inhibitors designed for HCV polymerase display low micromolar potencies in biochemical assays. These compounds show a stringent preference for a cyclohexyl hydrophobe at the 2-amino position. The composition of these compounds suggests that they may be interacting at a recently discovered allosteric site on the polymerase. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.024
• 作为产物：
  描述：

  2-[(4-Benzyloxy-benzoyl)-cyclohexyl-amino]-thiazole-5-carboxylic acid ethyl ester 在 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl 2-[cyclohexyl-(4-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
  参考文献：
  名称：

  Aminothiazole inhibitors of HCV RNA polymerase

  摘要：

  Aminothiazole-based inhibitors designed for HCV polymerase display low micromolar potencies in biochemical assays. These compounds show a stringent preference for a cyclohexyl hydrophobe at the 2-amino position. The composition of these compounds suggests that they may be interacting at a recently discovered allosteric site on the polymerase. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.024

文献信息

• Aminothiazole inhibitors of HCV RNA polymerase
  作者：Gerald W. Shipps、Yongqi Deng、Tong Wang、Janeta Popovici-Muller、Patrick J. Curran、Kristin E. Rosner、Alan B. Cooper、Viyyoor Girijavallabhan、Nancy Butkiewicz、Michael Cable

  DOI：10.1016/j.bmcl.2004.10.024

  日期：2005.1

  Aminothiazole-based inhibitors designed for HCV polymerase display low micromolar potencies in biochemical assays. These compounds show a stringent preference for a cyclohexyl hydrophobe at the 2-amino position. The composition of these compounds suggests that they may be interacting at a recently discovered allosteric site on the polymerase. (C) 2004 Elsevier Ltd. All rights reserved.