[14C]-TTA-Q3 | 910484-25-2

• 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: [14C]-TTA-Q3
• 英文别名: TTA-Q3；TTA-Q5；(4S)-6-chloro-4-ethyl-4-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
• CAS: 910484-25-2
• 化学式: C₁₈H₁₅ClF₄N₂O
• 分子量: 386.777
• InChiKey: HPZZTKGICNGATO-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (2-氨基-5-氯苯基)(4-氟苯基)甲酮 在 氯化亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [14C]-TTA-Q3
  参考文献：
  名称：

  Discovery of 4,4-Disubstituted Quinazolin-2-ones as T-Type Calcium Channel Antagonists

  摘要：

  A novel series of quinazolinone T-type calcium channel antagonists have been prepared and evaluated using in vitro and in vivo assays. Optimization of the screening hit 3 by modifications of the 3- and 4-positions of the quinazolinone ring afforded potent and selective antagonists that displayed in vivo central nervous system efficacy in epilepsy and tremor models, as well as significant effects on rat active wake as measured by electrocorticogram.

  DOI：

  10.1021/ml100004r

文献信息

• Discovery of 4,4-Disubstituted Quinazolin-2-ones as T-Type Calcium Channel Antagonists
  作者：James C. Barrow、Kenneth E. Rittle、Thomas S. Reger、Zhi-Qiang Yang、Phung Bondiskey、Georgia B. McGaughey、Mark G. Bock、George D. Hartman、Cuyue Tang、Jeanine Ballard、Yuhsin Kuo、Thomayant Prueksaritanont、Cindy E. Nuss、Scott M. Doran、Steven V. Fox、Susan L. Garson、Richard L. Kraus、Yuxing Li、Michael J. Marino、Valerie Kuzmick Graufelds、Victor N. Uebele、John J. Renger

  DOI：10.1021/ml100004r

  日期：2010.5.13

  A novel series of quinazolinone T-type calcium channel antagonists have been prepared and evaluated using in vitro and in vivo assays. Optimization of the screening hit 3 by modifications of the 3- and 4-positions of the quinazolinone ring afforded potent and selective antagonists that displayed in vivo central nervous system efficacy in epilepsy and tremor models, as well as significant effects on rat active wake as measured by electrocorticogram.