(4-((4,4-Dimethylcyclohexyl)oxy)-5-fluoro-2-methoxyphenyl)methanamine | 1224048-15-0

• 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: (4-((4,4-Dimethylcyclohexyl)oxy)-5-fluoro-2-methoxyphenyl)methanamine
• 英文别名: [4-(4,4-dimethylcyclohexyl)oxy-5-fluoro-2-methoxyphenyl]methanamine
• CAS: 1224048-15-0
• 化学式: C₁₆H₂₄FNO₂
• 分子量: 281.37
• InChiKey: BKIQGJQEBQFKFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  BOC-L-脯氨酸 、 (4-((4,4-Dimethylcyclohexyl)oxy)-5-fluoro-2-methoxyphenyl)methanamine 在 N,N'-羰基二咪唑 作用下， 以 2-甲基四氢呋喃 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Orally active and brain permeable proline amides as highly selective 5HT2c agonists for the treatment of obesity

  摘要：

  Brain-penetrable proline amides were developed as 5HT2c agonists with more than 1000-fold binding selectivity against 5HT2b receptor. After medicinal chemistry optimization and SAR studies, orally active proline amides with robust efficacy in a rodent food intake inhibition model were uncovered. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.01.107
• 作为产物：
  描述：

  4-((4,4-dimethylcyclohexyl)oxy)-5-fluoro-2-methoxybenzonitrile 在 盐酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 以75%的产率得到(4-((4,4-Dimethylcyclohexyl)oxy)-5-fluoro-2-methoxyphenyl)methanamine
  参考文献：
  名称：

  Orally active and brain permeable proline amides as highly selective 5HT2c agonists for the treatment of obesity

  摘要：

  Brain-penetrable proline amides were developed as 5HT2c agonists with more than 1000-fold binding selectivity against 5HT2b receptor. After medicinal chemistry optimization and SAR studies, orally active proline amides with robust efficacy in a rodent food intake inhibition model were uncovered. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.01.107

文献信息

• Orally active and brain permeable proline amides as highly selective 5HT2c agonists for the treatment of obesity
  作者：Kevin K.-C. Liu、Bruce A. Lefker、Mark A. Dombroski、Phoebe Chiang、Peter Cornelius、Terrell A. Patterson、Yuan Zeng、Stephanie Santucci、Elizabeth Tomlinson、Colleen P. Gibbons、Ravi Marala、Janice A. Brown、Jimmy X. Kong、Eunsun Lee、Wendy Werner、Zane Wenzel、Craig Giragossian、Hou Chen、Steven B. Coffey

  DOI：10.1016/j.bmcl.2010.01.107

  日期：2010.4

  Brain-penetrable proline amides were developed as 5HT2c agonists with more than 1000-fold binding selectivity against 5HT2b receptor. After medicinal chemistry optimization and SAR studies, orally active proline amides with robust efficacy in a rodent food intake inhibition model were uncovered. (C) 2010 Published by Elsevier Ltd.