BJ-B11 | 1265225-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: BJ-B11
• 英文别名: [4-[2-Carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]cyclohexyl] acetate
• CAS: 1265225-74-8
• 化学式: C₂₅H₃₂N₄O₄
• 分子量: 452.553
• InChiKey: SIZHRUGVUAURIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-hydrazino-2-(4-hydroxy-cyclohexylamino)-benzonitrile 在 4-二甲氨基吡啶 、 双氧水 、 溶剂黄146 、 N,N'-二环己基碳二亚胺 、 potassium hydroxide 作用下， 以 乙醇 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 生成 BJ-B11
  参考文献：
  名称：

  Synthesis and in vitro anti-HSV-1 activity of a novel Hsp90 inhibitor BJ-B11

  摘要：

  In this study, a novel Hsp90 inhibitor BJ-B11, was synthesized and evaluated for in vitro antiviral activity against several viruses. Possible anti-HSV-1 mechanisms were also investigated. BJ-B11 displayed no antiviral activity against coxsackievirus B-3 (CVB3), human respiratory syncytial virus (RSV) and influenza virus (H1N1), but exhibited potent anti-HSV-1 and HSV-2 activity with EC50 values of 0.42 +/- 0.18 mu M and 0.60 +/- 0.21 mu M, respectively. Additionally, the inhibitory effects of BJ-B11 against HSV-1 were likely to be introduced at early stage of infection. Our results indicate that BJ-B11 with alternative mechanisms of action is potent as an anti-HSV clinical trial candidate. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.098