methyl 3-(3-chloro-8-methoxy-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-7-yl)propanoate | 755029-35-7

• 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 3-(3-chloro-8-methoxy-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-7-yl)propanoate
• 英文别名: Methyl 3-(9-chloro-3-methoxy-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl)propanoate
• CAS: 755029-35-7
• 化学式: C₁₈H₁₇ClN₂O₄
• 分子量: 360.797
• InChiKey: JNVIQWUYZBXZHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3-(3-chloro-8-methoxy-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-7-yl)propanoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到3-chloro-7-(3-hydroxypropyl)-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-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：

  methyl 3-(3-chloro-8-methoxy-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-7-yl)acrylate 在 platinum on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 methyl 3-(3-chloro-8-methoxy-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-7-yl)propanoate
  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