N'-(3,4-dimethoxyphenyl)-N,N-dimethylmethanimidamide | 62330-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N'-(3,4-dimethoxyphenyl)-N,N-dimethylmethanimidamide
• CAS: 62330-97-6
• 化学式: C₁₁H₁₆N₂O₂
• 分子量: 208.26
• InChiKey: LTWUGZOKACXCSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-amino-4-(4-chlorophenyl)-1H-imidazole-2-carboxylic acid methyl ester 、 N'-(3,4-dimethoxyphenyl)-N,N-dimethylmethanimidamide 在 溶剂黄146 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以9%的产率得到6-(4-chlorophenyl)-3-(3,4-dimethoxy-phenyl)-3H-imidazo[2,1-f][1,2,4]triazin-4-one
  参考文献：
  名称：

  Non-basic azolotriazinone MCHR1 antagonists for the treatment of obesity: An empirical brain-exposures-driven candidate selection for in vivo efficacy studies

  摘要：

  Non-basic azolotriazinones were explored using an empirical free brain exposures-driven approach to identify potent MCHR1 antagonists for evaluation in in vivo efficacy studies. An optimized lead from this series, 1j (rMCHR1 K-i = 1.8 nM), demonstrated a 6.9% reduction in weight gain relative to vehicle in a rat model at 30 mg/kg after 4 days of once-daily oral treatment as a glycine prodrug. Despite a promising efficacy profile, an assessment of the biliary toxicity risk of this compound rendered this compound non-progressible. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.018