4-(methylbenzyloxy)benzothiazole | 1257262-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 4-(methylbenzyloxy)benzothiazole
• 英文别名: Benzothiazole,4-[(4-methylphenyl)methoxy]-；4-[(4-methylphenyl)methoxy]-1,3-benzothiazole
• CAS: 1257262-14-8
• 化学式: C₁₅H₁₃NOS
• 分子量: 255.34
• InChiKey: BJLUUFHLPDISAN-UHFFFAOYSA-N

物化性质

• 沸点：
  406.7±25.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  50.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-苯并噻唑 、 4-甲基苄溴 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 以70%的产率得到4-(methylbenzyloxy)benzothiazole
  参考文献：
  名称：

  Design, synthesis and activity of benzothiazole-based inhibitors of NO production in LPS-activated macrophages

  摘要：

  Series of benzothiazoles were synthesized and evaluated their inhibitory activities for NO production in lipopolysaccharide-activated macrophages. The most potent compound was the indole-containing benzothiazole 3c with 4.18 mu M of IC(50). The mechanistic study suggested that benzothiazoles inhibited NO production by the suppression of iNOS protein and mRNA expression. They also suppressed the expression of COX-2 through the NF-kappa B inactivation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.112

文献信息

• Design, synthesis and activity of benzothiazole-based inhibitors of NO production in LPS-activated macrophages
  作者：Guo Hua Jin、Hua Li、Semi An、Jae-Ha Ryu、Raok Jeon

  DOI：10.1016/j.bmcl.2010.08.112

  日期：2010.11

  Series of benzothiazoles were synthesized and evaluated their inhibitory activities for NO production in lipopolysaccharide-activated macrophages. The most potent compound was the indole-containing benzothiazole 3c with 4.18 mu M of IC(50). The mechanistic study suggested that benzothiazoles inhibited NO production by the suppression of iNOS protein and mRNA expression. They also suppressed the expression of COX-2 through the NF-kappa B inactivation. (C) 2010 Elsevier Ltd. All rights reserved.