N-[4-({2-methoxy-5-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]benzyl}oxy)phenyl]acetamide

• 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: N-[4-({2-methoxy-5-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]benzyl}oxy)phenyl]acetamide
• 英文别名: N-[4-[[2-methoxy-5-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]acetamide
• 化学式: C₃₁H₂₉N₃O₅
• 分子量: 523.6
• InChiKey: QRIUBNIKKDECQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  89.1
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Inhibitors of thapsigargin-induced cell death
  申请人：Reed John C.

  公开号：US20080293699A1

  公开（公告）日：2008-11-27

  Methods for screening for inhibitors of endoplasmic reticulum (ER) stress are provided. These methods involve the addition of thapsigargin, which induces ER stress, and a test agent to mammalian cells in multi-well plates. Cell survival can be readily monitored by measuring intracellular ATP content using a bioluminescent reagent. Screening a commercially available library of 50,000 compounds led to the identification of 93 hit compounds that were subjected to secondary assays to confirm their ability to rescue cells from thapsigargin-induced cell death.

  提供筛选内质网(ER)应激抑制剂的方法。这些方法涉及向多孔板的哺乳动物细胞中添加诱导ER应激的硫酸硫酯和测试试剂。通过使用生物发光试剂测量细胞内ATP含量，可以轻松监测细胞存活情况。通过筛选一个商业可用的50,000种化合物的库，确定了93种命中化合物，这些化合物经过二次检测，确认其能够拯救细胞免受硫酸硫酯诱导的细胞死亡的影响。
• INHIBITORS OF THAPSIGARGIN-INDUCED CELL DEATH
  申请人：REED John C.

  公开号：US20120245147A1

  公开（公告）日：2012-09-27

  Methods for screening for inhibitors of endoplasmic reticulum (ER) stress are provided. These methods involve the addition of thapsigargin, which induces ER stress, and a test agent to mammalian cells in multi-well plates. Cell survival can be readily monitored by measuring intracellular ATP content using a bioluminescent reagent. Screening a commercially available library of 50,000 compounds led to the identification of 93 hit compounds that were subjected to secondary assays to confirm their ability to rescue cells from thapsigargin-induced cell death.