6-(3-溴苯基)-9-(3,4-二甲氧基苯基)-5,6,8,9,10,11-六氢苯并[b][1,4]苯并二氮杂-7-酮 | 6239-53-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 6-(3-溴苯基)-9-(3,4-二甲氧基苯基)-5,6,8,9,10,11-六氢苯并[b][1,4]苯并二氮杂-7-酮
• 英文名称: 11-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
• 英文别名: 6-(3-bromophenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
• CAS: 6239-53-8
• 化学式: C₂₇H₂₅BrN₂O₃
• mdl: MFCD01994622
• 分子量: 505.4
• InChiKey: FZNDIGWTTRIPRM-UHFFFAOYSA-N

物化性质

• 熔点：
  183-184 °C
• 沸点：
  130 °C(Press: 0.1 Torr)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• 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.