1-Piperidin-4-yl-1H-quinazolin-4-one | 852627-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-Piperidin-4-yl-1H-quinazolin-4-one
• 英文别名: 1-(4-Piperidinyl)-4(1h)-quinazolinone；1-piperidin-4-ylquinazolin-4-one
• CAS: 852627-77-1
• 化学式: C₁₃H₁₅N₃O
• 分子量: 229.282
• InChiKey: QLOACDVOMRWPIU-UHFFFAOYSA-N

物化性质

• 沸点：
  403.6±55.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Piperidin-4-yl-1H-quinazolin-4-one 在 三乙酰氧基硼氢化钠 、 三氟乙酸 作用下， 以 二氯甲烷 、 苯甲醚 为溶剂， 生成 (R)-Cyclohexyl-{(3S,4S)-3-[4-(4-oxo-4H-quinazolin-1-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid
  参考文献：
  名称：

  Potent 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists: effects of fused heterocycles on antiviral activity and pharmacokinetic properties

  摘要：

  A series of 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists containing a variety of fused heterocycles at the 4-position of the piperidine side chain has been discovered, which are orally bioavailable with potent anti-HIV activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.030
• 作为产物：
  描述：

  2-氟苯甲酰胺 在 palladium on activated charcoal 盐酸 、 甲酸铵 、 sodium carbonate 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 生成 1-Piperidin-4-yl-1H-quinazolin-4-one
  参考文献：
  名称：

  Potent 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists: effects of fused heterocycles on antiviral activity and pharmacokinetic properties

  摘要：

  A series of 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists containing a variety of fused heterocycles at the 4-position of the piperidine side chain has been discovered, which are orally bioavailable with potent anti-HIV activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.030

文献信息

• Potent 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists: effects of fused heterocycles on antiviral activity and pharmacokinetic properties
  作者：Dooseop Kim、Liping Wang、Jeffrey J. Hale、Christopher L. Lynch、Richard J. Budhu、Malcolm MacCoss、Sander G. Mills、Lorraine Malkowitz、Sandra L. Gould、Julie A. DeMartino、Martin S. Springer、Daria Hazuda、Michael Miller、Joseph Kessler、Renee C. Hrin、Gwen Carver、Anthony Carella、Karen Henry、Janet Lineberger、William A. Schleif、Emilio A. Emini

  DOI：10.1016/j.bmcl.2005.02.030

  日期：2005.4

  A series of 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists containing a variety of fused heterocycles at the 4-position of the piperidine side chain has been discovered, which are orally bioavailable with potent anti-HIV activity. (c) 2005 Elsevier Ltd. All rights reserved.