TTA-Q5 | 1213235-34-7

• 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: TTA-Q5
• 英文别名: (4S)-6-chloro-4-cyclopropyl-4-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
• CAS: 1213235-34-7
• 化学式: C₁₉H₁₅ClF₄N₂O
• 分子量: 398.788
• InChiKey: NJOILYDPOPVIIT-IBGZPJMESA-N

物化性质

• 沸点：
  491.5±45.0 °C(Predicted)
• 密度：
  1.426±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 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 TTA-Q5
  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

• USES, COMPOSITIONS AND METHODS
  申请人：Fisahn Andre

  公开号：US20210038589A1

  公开（公告）日：2021-02-11

  The present invention relates generally to calcium channel inhibitors for use in treating and/or preventing an amyloid disease of the nervous system. The invention also relates to related pharmaceutical compositions, kits and screening methods.
• T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF
  申请人：Praxis Precision Medicines, inc.

  公开号：US20210128537A1

  公开（公告）日：2021-05-06

  Described herein are compounds useful for preventing and/or treating a disease or condition relating to aberrant function of a T-type calcium channel, such as epilepsy and epilepsy syndromes (e.g., absence seizures, juvenile myoclonic epilepsy, or a genetic epilepsy) and mood disorders. The present invention further comprises methods for modulating the function of a T-type calcium channel.