6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine | 85840-94-4

• 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: 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
• CAS: 85840-94-4
• 化学式: C₁₆H₁₈N₄
• 分子量: 266.346
• InChiKey: IOKPCGMQPUHRCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-叔丁基苯乙腈 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 3.33h， 生成 6-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
  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

文献信息

• Identification and Preliminary Characterization of a Potent, Safe, and Orally Efficacious Inhibitor of Acyl-CoA:Diacylglycerol Acyltransferase 1
  作者：Vince S. C. Yeh、David W. A. Beno、Sevan Brodjian、Michael E. Brune、Steven C. Cullen、Brian D. Dayton、Madhup K. Dhaon、Hugh D. Falls、Ju Gao、Nelson Grihalde、Philip Hajduk、T. Matthew Hansen、Andrew S. Judd、Andrew J. King、Russel C. Klix、Kelly J. Larson、Yau Y. Lau、Kennan C. Marsh、Scott W. Mittelstadt、Dan Plata、Michael J. Rozema、Jason A. Segreti、Eric J. Stoner、Martin J. Voorbach、Xiaojun Wang、Xili Xin、Gang Zhao、Christine A. Collins、Bryan F. Cox、Regina M. Reilly、Philip R. Kym、Andrew J. Souers

  DOI：10.1021/jm201524g

  日期：2012.2.23

  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.