4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)benzoic acid | 1359943-42-2

• 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: 4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)benzoic acid
• CAS: 1359943-42-2
• 化学式: C₁₃H₁₀N₄O₂
• 分子量: 254.248
• InChiKey: PMWKAIBZSNINAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(氰甲基)苯甲酸 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 3.33h， 生成 4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)benzoic acid
  参考文献：
  名称：

  Identification and Preliminary Characterization of a Potent, Safe, and Orally Efficacious Inhibitor of Acyl-CoA:Diacylglycerol Acyltransferase 1

  摘要：

  A high-throughput screen against human DGAT-1 led to the identification of a core structure that was subsequently optimized to afford the potent, selective, and orally bioavailable compound 14. Oral administration at doses >= 0.03 mg/kg significantly reduced postprandial triglycerides in mice following an oral lipid challenge. Further assessment in both acute and chronic safety pharmacology and toxicology studies demonstrated a clean profile up to high plasma levels, thus culminating in the nomination of 14 as clinical candidate ABT-046.

  DOI：

  10.1021/jm201524g