[6-(Cyclopropylmethyl-propyl-amino)-2,5-dimethyl-pyrimidin-4-yl]-(2,4,6-trimethoxy-phenyl)-methanone | 190083-97-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [6-(Cyclopropylmethyl-propyl-amino)-2,5-dimethyl-pyrimidin-4-yl]-(2,4,6-trimethoxy-phenyl)-methanone
• 英文别名: [6-[cyclopropylmethyl(propyl)amino]-2,5-dimethylpyrimidin-4-yl]-(2,4,6-trimethoxyphenyl)methanone
• CAS: 190083-97-7
• 化学式: C₂₃H₃₁N₃O₄
• 分子量: 413.517
• InChiKey: SNLBSUWBYOOLDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [6-(Cyclopropylmethyl-propyl-amino)-2,5-dimethyl-pyrimidin-4-yl]-(2,4,6-trimethoxy-phenyl)-methanone 在 甲基磺酰氯 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 Cyclopropylmethyl-{2,5-dimethyl-6-[1-(2,4,6-trimethoxy-phenyl)-vinyl]-pyrimidin-4-yl}-propyl-amine
  参考文献：
  名称：

  Synthesis of benzoylpyrimidines as antagonists of the corticotropin-releasing factor-1 receptor

  摘要：

  A series of benzoylpyrimidines derived from the anilinepyrimidine CRF1 antagonists were synthesized. Several synthetic routes were developed to explore the SAR of this series of compounds. Compounds such as 8d (K-i = 15 nM) exhibited high binding affinities at the human CRF1 receptor. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.072
• 作为产物：
  描述：

  草酰丙酸二乙酯 在 sodium ethanolate 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 [6-(Cyclopropylmethyl-propyl-amino)-2,5-dimethyl-pyrimidin-4-yl]-(2,4,6-trimethoxy-phenyl)-methanone
  参考文献：
  名称：

  Synthesis of benzoylpyrimidines as antagonists of the corticotropin-releasing factor-1 receptor

  摘要：

  A series of benzoylpyrimidines derived from the anilinepyrimidine CRF1 antagonists were synthesized. Several synthetic routes were developed to explore the SAR of this series of compounds. Compounds such as 8d (K-i = 15 nM) exhibited high binding affinities at the human CRF1 receptor. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.072

文献信息

• Synthesis of benzoylpyrimidines as antagonists of the corticotropin-releasing factor-1 receptor
  作者：Thomas R Webb、Terry Moran、Charles Q Huang、James R McCarthy、Dimitri E Grigoriadis、Chen Chen

  DOI：10.1016/j.bmcl.2004.05.072

  日期：2004.8

  A series of benzoylpyrimidines derived from the anilinepyrimidine CRF1 antagonists were synthesized. Several synthetic routes were developed to explore the SAR of this series of compounds. Compounds such as 8d (K-i = 15 nM) exhibited high binding affinities at the human CRF1 receptor. (C) 2004 Elsevier Ltd. All rights reserved.