3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidin-7-amine | 1260155-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidin-7-amine
• CAS: 1260155-63-2
• 化学式: C₂₃H₂₆N₆O₂
• 分子量: 418.498
• InChiKey: BGNFLSMBGKDGIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  90.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  以 四氢呋喃 为溶剂， 生成 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidin-7-amine
  参考文献：
  名称：

  Discovery of NBI-77860/GSK561679, a potent corticotropin-releasing factor (CRF1) receptor antagonist with improved pharmacokinetic properties

  摘要：

  Antagonists of the corticotropin-releasing factor (CRF) neuropeptide may prove effective in treating stress and anxiety related disorders. In an effort to identify antagonists with improved physico-chemical properties a new series of CRF1 antagonists were designed to substitute the propyl groups at the C7 position of the pyrazolo[1,5-a]pyrimidine core of 1 with heterocycles. Compound (S)-8d was identified as a high affinity ligand with a pK(i) value of 8.2 and a functional CRF1 antagonist with pIC(50) value of 7.0 in the in vitro CRF ACTH production assay. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.095