N-butyl-N,2-diethyl-8-mesityl-7-oxo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxamide | 1224480-32-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-butyl-N,2-diethyl-8-mesityl-7-oxo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxamide
• 英文别名: N-butyl-N,2-diethyl-7-oxo-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidine-3-carboxamide
• CAS: 1224480-32-3
• 化学式: C₂₄H₃₄N₄O₂
• 分子量: 410.56
• InChiKey: ANNYOXHYWHWCPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-乙基正丁胺 、 ethyl 2-ethyl-8-mesityl-7-oxo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylate 在 三甲基铝 作用下， 以 甲苯 为溶剂， 生成 N-butyl-N,2-diethyl-8-mesityl-7-oxo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxamide
  参考文献：
  名称：

  Design, synthesis and evaluation of constrained tetrahydroimidazopyrimidine derivatives as antagonists of corticotropin-releasing factor type 1 receptor (CRF1R)

  摘要：

  Several tetrahydroimidazopyrimidines were prepared using silver assisted cyclization as the key step. The binding affinities of compounds thus prepared were evaluated in vitro toward hCRF(1)R. Initial lead compound 16 (K-i = 32 nM) demonstrated modest putative anxiolytic effects in the mouse canopy test. Further optimization using parallel synthesis provided compounds with K-i's <50 nM. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.127

文献信息

• Design, synthesis and evaluation of constrained tetrahydroimidazopyrimidine derivatives as antagonists of corticotropin-releasing factor type 1 receptor (CRF1R)
  作者：Vivekananda M. Vrudhula、Bireshwar Dasgupta、Sokhom S. Pin、Kevin D. Burris、Lynn A. Balanda、Lawrence K. Fung、Tracey Fiedler、Kaitlin E. Browman、Matthew T. Taber、Jie Zhang、John E. Macor、Gene M. Dubowchik

  DOI：10.1016/j.bmcl.2010.01.127

  日期：2010.3

  Several tetrahydroimidazopyrimidines were prepared using silver assisted cyclization as the key step. The binding affinities of compounds thus prepared were evaluated in vitro toward hCRF(1)R. Initial lead compound 16 (K-i = 32 nM) demonstrated modest putative anxiolytic effects in the mouse canopy test. Further optimization using parallel synthesis provided compounds with K-i's <50 nM. (C) 2010 Elsevier Ltd. All rights reserved.