4-(4-Chlorophenyl)-5-propyl-1,3-thiazol-2-amine | 426215-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-Chlorophenyl)-5-propyl-1,3-thiazol-2-amine
• CAS: 426215-79-4
• 化学式: C₁₂H₁₃ClN₂S
• 分子量: 252.768
• InChiKey: BAHBNWYVXHGRNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-甲基苯基)乙烯磺酰氯 、 4-(4-Chlorophenyl)-5-propyl-1,3-thiazol-2-amine 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 (E)-2-p-Tolyl-ethenesulfonic acid [4-(4-chloro-phenyl)-5-propyl-thiazol-2-yl]-amide
  参考文献：
  名称：

  Sulfonylated aminothiazoles as new small molecule inhibitors of protein phosphatases

  摘要：

  Based on a previously identified lead structure, SC-alpha alpha delta9, we have developed a versatile new chemical scaffold that can be readily modified to generate libraries of both Tyr and dual specificity phosphatase inhibitors with reduced molecular weight and lipophilicity. The most potent analogue identified to dare, aminothiazole 8z, inhibits the dual specificity phosphatase Cdc25B with a K-i of 4.6 +/- 0.4 muM and a Hill coefficient of 2. (C) 2001 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(00)00658-2
• 作为产物：
  描述：

  1-(4-氯苯基)戊-1-醇 在 manganese(IV) oxide 、 碘 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 生成 4-(4-Chlorophenyl)-5-propyl-1,3-thiazol-2-amine
  参考文献：
  名称：

  Sulfonylated aminothiazoles as new small molecule inhibitors of protein phosphatases

  摘要：

  Based on a previously identified lead structure, SC-alpha alpha delta9, we have developed a versatile new chemical scaffold that can be readily modified to generate libraries of both Tyr and dual specificity phosphatase inhibitors with reduced molecular weight and lipophilicity. The most potent analogue identified to dare, aminothiazole 8z, inhibits the dual specificity phosphatase Cdc25B with a K-i of 4.6 +/- 0.4 muM and a Hill coefficient of 2. (C) 2001 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(00)00658-2

文献信息

• Sulfonylated aminothiazoles as new small molecule inhibitors of protein phosphatases
  作者：Peter Wipf、Diana C. Aslan、Eileen C. Southwick、John S. Lazo

  DOI：10.1016/s0960-894x(00)00658-2

  日期：2001.2

  Based on a previously identified lead structure, SC-alpha alpha delta9, we have developed a versatile new chemical scaffold that can be readily modified to generate libraries of both Tyr and dual specificity phosphatase inhibitors with reduced molecular weight and lipophilicity. The most potent analogue identified to dare, aminothiazole 8z, inhibits the dual specificity phosphatase Cdc25B with a K-i of 4.6 +/- 0.4 muM and a Hill coefficient of 2. (C) 2001 Elsevier Science Ltd. Ail rights reserved.