[4-(2-carbazol-9-ylethoxy)phenyl]thiocarbamic acid S-methyl ester | 1374216-28-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: [4-(2-carbazol-9-ylethoxy)phenyl]thiocarbamic acid S-methyl ester
• 英文别名: S-methyl N-[4-(2-carbazol-9-ylethoxy)phenyl]carbamothioate
• CAS: 1374216-28-0
• 化学式: C₂₂H₂₀N₂O₂S
• 分子量: 376.479
• InChiKey: NGPNDKNCQNXBKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  68.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(2-carbazol-9-ylethoxy)phenylamine 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 [4-(2-carbazol-9-ylethoxy)phenyl]thiocarbamic acid S-methyl ester
  参考文献：
  名称：

  Design and synthesis of carbamate and thiocarbamate derivatives and their inhibitory activities of NO production in LPS activated macrophages

  摘要：

  Series of carbamate and thiocarbamate derivatives were designed and synthesized and their inhibitory activities of NO production in lipopolysaccharide-activated macrophages were evaluated. Several thoicarbamate derivatives revealed promising inhibitory activity. The structure-activity relationship study of these compounds is also reported. Among these compounds, compound 12b was the most potent with 6.5 mu M of IC50. They inhibited NO production through the suppression of iNOS protein and mRNA expression and nuclear translocation of p65. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.010