3-Chloro-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-8-ylamine | 869858-64-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Chloro-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-8-ylamine
• 英文别名: 2-Chloro-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-8-amine；2-chloro-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-8-amine
• CAS: 869858-64-0
• 化学式: C₁₁H₉ClN₄O
• 分子量: 248.672
• InChiKey: SATXFNBGPQOVGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  73.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Chloro-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-8-ylamine 、 4-氯-3-三氟甲基异氰酸苯酯 以80%的产率得到1-(3-Chloro-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-8-yl)-3-(4-chloro-3-trifluoromethyl-phenyl)-urea
  参考文献：
  名称：

  Pyrimido-oxazepine as a versatile template for the development of inhibitors of specific kinases

  摘要：

  Pyrimido-oxazepine based sub-micromolar inhibitors (2-4) for Aurora and FLT-3 were designed and synthesized. These preliminary results supported the potential use of pyrimido-oxazepines as a versatile template for developing specific kinase inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.098
• 作为产物：
  描述：

  3-Chloro-8-nitro-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cycloheptene 在 indium 、 氯化铵 作用下， 以55%的产率得到3-Chloro-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-8-ylamine
  参考文献：
  名称：

  改进的功能化5,6-二氢嘧啶[4,5- b ] [1,4]奥氮平的合成

  摘要：

  据报道，针对5，6-二氢-嘧啶并[4,5- b ] [1,4]奥氮平的新型合成方法成功地将反应性较弱的苯胺和各种2-羟基苯甲醛成功引入该治疗相关支架。因此，对该支架进行更广泛的SAR研究成为可能。

  DOI：

  10.1016/j.tetlet.2005.08.161

文献信息

• Improved synthesis of functionalized 5,6-dihydro-pyrimido[4,5-b][1,4]oxazepines
  作者：Yong-Jiang Xu、Hu Liu、Weitao Pan、Xin Chen、Wai C. Wong、Marc Labelle

  DOI：10.1016/j.tetlet.2005.08.161

  日期：2005.10

  Novel synthetic approaches toward 5,6-dihydro-pyrimido[4,5-b][1,4]oxazepines were reported that led to successful introduction of poorly reactive anilines and various 2-hydroxybenzaldehydes to this therapeutically relevant scaffold. More extensive SAR studies on this scaffold hence became possible.

  据报道，针对5，6-二氢-嘧啶并[4,5- b ] [1,4]奥氮平的新型合成方法成功地将反应性较弱的苯胺和各种2-羟基苯甲醛成功引入该治疗相关支架。因此，对该支架进行更广泛的SAR研究成为可能。
• Pyrimido-oxazepine as a versatile template for the development of inhibitors of specific kinases
  作者：Weitao Pan、Hu Liu、Yong-Jiang Xu、Xin Chen、Ki Hwan Kim、Daniel L. Milligan、John Columbus、Yaron R. Hadari、Paul Kussie、Wai C. Wong、Marc Labelle

  DOI：10.1016/j.bmcl.2005.08.098

  日期：2005.12

  Pyrimido-oxazepine based sub-micromolar inhibitors (2-4) for Aurora and FLT-3 were designed and synthesized. These preliminary results supported the potential use of pyrimido-oxazepines as a versatile template for developing specific kinase inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.