11-(4-diethylaminophenyl)-3-phenyl-2,3,4,5,10,11-hexahydrodibenzo[b,e][1,4]diazepin-1-one | 298686-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 11-(4-diethylaminophenyl)-3-phenyl-2,3,4,5,10,11-hexahydrodibenzo[b,e][1,4]diazepin-1-one
• 英文别名: 6-[4-(Diethylamino)phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
• CAS: 298686-07-4
• 化学式: C₂₉H₃₁N₃O
• mdl: MFCD01655648
• 分子量: 437.585
• InChiKey: AGQNVTZMIXEHKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  44.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(N,N-二乙氨基)-苯甲酸 在 sodium tetrahydroborate 、 PPA 、 1-羟基苯并三唑 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 12.5h， 生成 11-(4-diethylaminophenyl)-3-phenyl-2,3,4,5,10,11-hexahydrodibenzo[b,e][1,4]diazepin-1-one
  参考文献：
  名称：

  Inhibitors of thapsigargin-induced cell death

  摘要：

  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。

  公开号：

  US20080293699A1

文献信息

• [EN] INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE<br/>[FR] INHIBITEURS DE LA CYSTATHIONINE BÊTA SYNTHASE UTILISABLES EN VUE DE LA RÉDUCTION DE LA SURPRODUCTION NEUROTOXIQUE DE SULFURE D'HYDROGÈNE ENDOGÈNE
  申请人：FOND JEROME LEJEUNE

  公开号：WO2013068592A1

  公开（公告）日：2013-05-16

  The invention is directed to inhibitors of cystathionine beta synthase which, among other biochemical effects, allow reduction of the neurotoxic overproduction of endogenous hydrogen sulphide. These compounds and pharmaceutical compositions containing them are useful for the prevention and treatment of cognitive disorders such as cognitive disorders in Down syndrome. The invention also relates to methods for preventing or treating cognitive disorders including cognitive disorders in Down Syndrome.

  本发明涉及胱硫醚β合酶抑制剂，除其他生化作用外，还允许减少内源性硫化氢的神经毒性过度产生。这些化合物以及含有它们的药物组合物对于预防治疗认知障碍，如下氏综合症中的认知障碍等是有用的。本发明还涉及用于预防或治疗认知障碍的方法，包括下氏综合症中的认知障碍。
• 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.
• 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。