6-chloro-4-propyl-4-(3-pyridin-2-yloxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one | 1250437-35-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-chloro-4-propyl-4-(3-pyridin-2-yloxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
• CAS: 1250437-35-4
• 化学式: C₂₄H₂₁ClF₃N₃O₂
• 分子量: 475.898
• InChiKey: UKQPHKHXVHEVRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氟吡啶 、 在 caesium carbonate 作用下， 反应 0.5h， 生成 6-chloro-4-propyl-4-(3-pyridin-2-yloxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
  参考文献：
  名称：

  Discovery and expanded SAR of 4,4-disubstituted quinazolin-2-ones as potent T-type calcium channel antagonists

  摘要：

  The discovery and synthesis of 4,4-disubstituted quinazolinones as T-type calcium channel antagonists is reported. Based on lead compounds 2 and 3, a focused SAR campaign driven by the optimization of potency, metabolic stability, and pharmacokinetic profile identified 45 as a potent T-type Ca2+ channel antagonist with minimized PXR activation. In vivo, 45 suppressed seizure frequency in a rat model of absence epilepsy and showed significant alterations of sleep architecture after oral dosing to rats as measured by EEG. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.010