2-[Isopropyl-(4-phenoxy-benzoyl)-amino]-thiazole-4-carboxylic acid | 827038-53-9

• 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: 2-[Isopropyl-(4-phenoxy-benzoyl)-amino]-thiazole-4-carboxylic acid
• 英文别名: 2-[(4-Phenoxybenzoyl)-propan-2-ylamino]-1,3-thiazole-4-carboxylic acid
• CAS: 827038-53-9
• 化学式: C₂₀H₁₈N₂O₄S
• 分子量: 382.44
• InChiKey: NMQDWIFPZCVOGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[Isopropyl-(4-phenoxy-benzoyl)-amino]-thiazole-4-carboxylic acid ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 2-[Isopropyl-(4-phenoxy-benzoyl)-amino]-thiazole-4-carboxylic acid
  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.