N-(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)phenyl)-2-(4-(4-methoxyphenyl)piperazin-1-yl)acetamide | 942214-12-2

• 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: N-(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)phenyl)-2-(4-(4-methoxyphenyl)piperazin-1-yl)acetamide
• 英文别名: N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
• CAS: 942214-12-2
• 化学式: C₂₈H₂₇N₅O₃
• 分子量: 481.554
• InChiKey: GDABJDXTCQUQFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  94.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)aniline 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 生成 N-(4-(5-cyano-7-methylbenzo[d]oxazol-2-yl)phenyl)-2-(4-(4-methoxyphenyl)piperazin-1-yl)acetamide
  参考文献：
  名称：

  2-Arylbenzoxazoles as CETP inhibitors: Raising HDL-C in cynoCETP transgenic mice

  摘要：

  We describe structure-activity studies leading to the discovery of 2-arylbenzoxazole 3, the first in a series to raise serum high-density lipoprotein cholesterol levels in transgenic mice. Replacement of the 4-pipe-ridinyloxy moiety with piperazinyl provided a more synthetically tractable lead, which upon optimization resulted in compound 4, an excellent inhibitor of cholesteryl ester transfer protein function with good pharmacokinetic properties and in vivo efficacy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.062

文献信息

• 2-Arylbenzoxazoles as CETP inhibitors: Raising HDL-C in cynoCETP transgenic mice
  作者：Florida Kallashi、Dooseop Kim、Jennifer Kowalchick、You Jung Park、Julianne A. Hunt、Amjad Ali、Cameron J. Smith、Milton L. Hammond、James V. Pivnichny、Xinchun Tong、Suoyu S. Xu、Matt S. Anderson、Ying Chen、Suzanne S. Eveland、Qiu Guo、Sheryl A. Hyland、Denise P. Milot、Anne-Marie Cumiskey、Melanie Latham、Laurence B. Peterson、Raymond Rosa、Carl P. Sparrow、Samuel D. Wright、Peter J. Sinclair

  DOI：10.1016/j.bmcl.2010.10.062

  日期：2011.1

  We describe structure-activity studies leading to the discovery of 2-arylbenzoxazole 3, the first in a series to raise serum high-density lipoprotein cholesterol levels in transgenic mice. Replacement of the 4-pipe-ridinyloxy moiety with piperazinyl provided a more synthetically tractable lead, which upon optimization resulted in compound 4, an excellent inhibitor of cholesteryl ester transfer protein function with good pharmacokinetic properties and in vivo efficacy. (C) 2010 Elsevier Ltd. All rights reserved.