methyl 7-methoxy-3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-8-carboxylate | 755035-22-4

• 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: methyl 7-methoxy-3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-8-carboxylate
• 英文别名: Methyl 2-methoxy-9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxylate
• CAS: 755035-22-4
• 化学式: C₂₃H₁₉N₃O₇
• 分子量: 449.42
• InChiKey: LBQSENNSTBCYSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl 7-methoxy-3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-8-carboxylate 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以27%的产率得到7-methoxy-3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-8-carboxylic acid
  参考文献：
  名称：

  Investigation of novel 7,8-disubstituted-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-ones as potent Chk1 inhibitors

  摘要：

  The synthesis and structure-activity relationships (SAR) of Chk1 inhibitors based on a 5,10-dihydro-dibenzo[b,e][1,4] diazepin-11-one core are described. Specifically, an exploration of the 7 and 8 positions on this previously disclosed core afforded compounds with improved enzymatic and cellular potency. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.080
• 作为产物：
  描述：

  3-甲氧基-4-硝基苯硼酸频那醇酯 、 methyl 3-chloro-7-methoxy-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-8-carboxylate 在 palladium diacetate cesium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到methyl 7-methoxy-3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-8-carboxylate
  参考文献：
  名称：

  Investigation of novel 7,8-disubstituted-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-ones as potent Chk1 inhibitors

  摘要：

  The synthesis and structure-activity relationships (SAR) of Chk1 inhibitors based on a 5,10-dihydro-dibenzo[b,e][1,4] diazepin-11-one core are described. Specifically, an exploration of the 7 and 8 positions on this previously disclosed core afforded compounds with improved enzymatic and cellular potency. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.080

文献信息

• Heterocyclic kinase inhibitors
  申请人：——

  公开号：US20040254159A1

  公开（公告）日：2004-12-16

  Compounds having the formula 1 are useful for inhibiting protein kinases. Also disclosed are methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds.

  具有1式的化合物对于抑制蛋白激酶非常有用。还揭示了制备该化合物的方法，含有该化合物的组合物，以及使用该化合物进行治疗的方法。
• Heterocyclic Kinase Inhibitors
  申请人：Hasvold A. Lisa

  公开号：US20070254867A1

  公开（公告）日：2007-11-01

  Compounds having the formula are useful for inhibiting protein kinases. Also disclosed are methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds.

  具有公式的化合物对于抑制蛋白激酶很有用。还公开了制备这些化合物的方法、含有这些化合物的组合物和使用这些化合物的治疗方法。
• 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS
  申请人：AbbVie Inc.

  公开号：EP1606268B1

  公开（公告）日：2015-05-20
• US7456169B2
  申请人：——

  公开号：US7456169B2

  公开（公告）日：2008-11-25
• Investigation of novel 7,8-disubstituted-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-ones as potent Chk1 inhibitors
  作者：Lisa A. Hasvold、Le Wang、Magdalena Przytulinska、Zhan Xiao、Zehan Chen、Wen-Zhen Gu、Philip J. Merta、John Xue、Peter Kovar、Haiying Zhang、Chang Park、Thomas J. Sowin、Saul H. Rosenberg、Nan-Horng Lin

  DOI：10.1016/j.bmcl.2008.02.080

  日期：2008.4

  The synthesis and structure-activity relationships (SAR) of Chk1 inhibitors based on a 5,10-dihydro-dibenzo[b,e][1,4] diazepin-11-one core are described. Specifically, an exploration of the 7 and 8 positions on this previously disclosed core afforded compounds with improved enzymatic and cellular potency. (C) 2008 Elsevier Ltd. All rights reserved.