| 929080-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 929080-06-8
• 化学式: C₁₆H₂₄Cl₂N₂O₃Si
• 分子量: 391.37
• InChiKey: FGWALTSQRGFQDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.41
• 重原子数：
  24.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.37
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 lithium tetrafluoroborate 作用下， 以 乙腈 为溶剂， 以29%的产率得到2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol
  参考文献：
  名称：

  Synthesis and SAR of potent and selective androgen receptor antagonists: 5,6-Dichloro-benzimidazole derivatives

  摘要：

  The synthesis and in vivo SAR of 5,6-dichloro-benzimidazole derivatives as novel selective androgen receptor antagonists are described. During screening of 2-alkyl benzimidazoles, it was found that a trifluoromethyl group greatly enhances antagonist activity in the prostate. Benzimidazole I is a potent AR antagonist in the rat prostate (ID50 = 0.15 mg/day). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.071
• 作为产物：
  描述：

  1-(5,6-dichlorobenzoimidazol-2-yl)ethanol 在 potassium dichromate 、 正丁基锂 、 硫酸 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and SAR of potent and selective androgen receptor antagonists: 5,6-Dichloro-benzimidazole derivatives

  摘要：

  The synthesis and in vivo SAR of 5,6-dichloro-benzimidazole derivatives as novel selective androgen receptor antagonists are described. During screening of 2-alkyl benzimidazoles, it was found that a trifluoromethyl group greatly enhances antagonist activity in the prostate. Benzimidazole I is a potent AR antagonist in the rat prostate (ID50 = 0.15 mg/day). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.071