1-(4-methoxyphenyl)-4-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)piperazine | 1245469-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-methoxyphenyl)-4-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
• 英文别名: 1-(4-methoxyphenyl)-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
• CAS: 1245469-32-2
• 化学式: C₂₂H₂₆N₄O
• 分子量: 362.475
• InChiKey: CZRUWILQRBMSBH-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：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  33.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-甲氧基苯基)哌嗪 、 3-甲基-1-苯基-1H-吡唑-4-甲醛 在 三乙酰氧基硼氢化钠 作用下， 生成 1-(4-methoxyphenyl)-4-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
  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

文献信息

• Smoothened antagonists for hair inhibition
  作者：Jie Jack Li、Veerabahu Shanmugasundaram、Satya Reddy、Laura L. Fleischer、Zenquan Wang、Yvonne Smith、William G. Harter、Wen-Song Yue、Manju Swaroop、Ling Li、Christy Xiaodong Ji、Danielle Dettling、Bella Osak、Laura R. Fitzgerald、Robert Conradi

  DOI：10.1016/j.bmcl.2010.06.033

  日期：2010.8

  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.