4-((3-(2-Fluoro-6-methoxyphenoxy)azetidin-1-yl)methyl)-5-methyl-1-phenyl-1H-pyrazole | 1245469-44-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-((3-(2-Fluoro-6-methoxyphenoxy)azetidin-1-yl)methyl)-5-methyl-1-phenyl-1H-pyrazole
• 英文别名: 4-[[3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl]methyl]-5-methyl-1-phenylpyrazole
• CAS: 1245469-44-6
• 化学式: C₂₁H₂₂FN₃O₂
• 分子量: 367.423
• InChiKey: GDTMZQXBYNLZHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  39.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-甲基-1-苯基-1H-吡唑-4-甲醛 、 3-(2-Fluoro-6-methoxyphenoxy)azetidine 在 三乙酰氧基硼氢化钠 作用下， 生成 4-((3-(2-Fluoro-6-methoxyphenoxy)azetidin-1-yl)methyl)-5-methyl-1-phenyl-1H-pyrazole
  参考文献：
  名称：

  Smoothened antagonists for hair inhibition

  摘要：

  A series of aminomethylpyrazoles were prepared and evaluated using cell-based Smoothened beta-lactamase reporter assay and Smoothened binding assay. Potent Smoothened antagonists 10k and 10l were found to inhibit hair growth in vivo in the C3H/HeN mouse hair growth model. The more selective compound 10l was tested negative in the 3T3 NRU assay, indicating a low risk for causing photo-irritation and was efficacious using the C3H/HeN mouse hair growth model although it was slightly less efficacious than that of the reference compound eflornithine (7). (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.033