9-Chloro-3-methoxy-2-(2-pyridin-4-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one | 956002-72-5

• 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: 9-Chloro-3-methoxy-2-(2-pyridin-4-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
• CAS: 956002-72-5
• 化学式: C₂₁H₁₈ClN₃O₂
• 分子量: 379.846
• InChiKey: PZILUMZQSQIDMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  63.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-甲氧基-4-硝基苯硼酸频那醇酯 、 9-Chloro-3-methoxy-2-(2-pyridin-4-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one 在 palladium diacetate cesium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以29%的产率得到3-Methoxy-9-(3-methoxy-4-nitrophenyl)-2-(2-pyridin-4-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
  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：

  9-Chloro-3-methoxy-2-(2-pyridin-4-ylethenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one 在 platinum on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 9-Chloro-3-methoxy-2-(2-pyridin-4-ylethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
  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：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。
• US7456169B2
  申请人：——

  公开号：US7456169B2

  公开（公告）日：2008-11-25