3-Amino-benz<1,4>oxazepin-11(10 H)on | 23474-63-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Amino-benz<1,4>oxazepin-11(10 H)on
• 英文别名: 3-amino-10H-dibenzo[b,f][1,4]oxazepin-11-one；3-Amino-10H-dibenzo[b,f][1,4]oxazepin-11-one；9-amino-5H-benzo[b][1,4]benzoxazepin-6-one
• CAS: 23474-63-7
• 化学式: C₁₃H₁₀N₂O₂
• 分子量: 226.235
• InChiKey: ZHEOVXBMQZTSDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-nitrobenzo[b,f][1,4]oxazepin-11(10H)-one 在 palladium 10% on activated carbon 作用下， 生成 3-Amino-benz<1,4>oxazepin-11(10 H)on
  参考文献：
  名称：

  Design, synthesis and SAR of phenylamino-substituted 5,11-dihydro-dibenzo[a,d]cyclohepten-10-ones and 11H-dibenzo[b,f]oxepin-10-ones as p38 MAP kinase inhibitors

  摘要：

  The p38 MAP kinase is a key enzyme in inflammatory diseases as it is involved in the biosynthesis of proinflammatory cytokines such as TNF-alpha and IL-1 beta. Small molecule p38 inhibitors suppress the production of these cytokines and therefore p38 is a promising drug target for novel anti-inflammatory therapeutics. In this study, we report the design, synthesis, and SAR of novel N-substituted 11H-dibenzo[b,f]oxepin-10-ones and 5,11-dihydro-dibenzo[a,d]cyclohepten-10-ones as p38 inhibitors. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.107

文献信息

• Nagarajan,K. et al., Indian Journal of Chemistry, 1974, vol. 12, p. 236 - 246
  作者：Nagarajan,K. et al.

  DOI：——

  日期：——
• NAGARAJAN K.; VENKATESWARLU A.; KULKARNI C. L.; NAGANA G. A.; SHAH R. K., INDIAN J. CHEM., <IJOC-AP>, 1974, 12, NO 3, 236-246
  作者：NAGARAJAN K.、 VENKATESWARLU A.、 KULKARNI C. L.、 NAGANA G. A.、 SHAH R. K.

  DOI：——

  日期：——
• Design, synthesis and SAR of phenylamino-substituted 5,11-dihydro-dibenzo[a,d]cyclohepten-10-ones and 11H-dibenzo[b,f]oxepin-10-ones as p38 MAP kinase inhibitors
  作者：Angelika Dorn、Verena Schattel、Stefan Laufer

  DOI：10.1016/j.bmcl.2010.03.107

  日期：2010.5

  The p38 MAP kinase is a key enzyme in inflammatory diseases as it is involved in the biosynthesis of proinflammatory cytokines such as TNF-alpha and IL-1 beta. Small molecule p38 inhibitors suppress the production of these cytokines and therefore p38 is a promising drug target for novel anti-inflammatory therapeutics. In this study, we report the design, synthesis, and SAR of novel N-substituted 11H-dibenzo[b,f]oxepin-10-ones and 5,11-dihydro-dibenzo[a,d]cyclohepten-10-ones as p38 inhibitors. (C) 2010 Elsevier Ltd. All rights reserved.