(4E)-1,7-dibenzyl-4-hydroxyimino-5,6-dihydropyrrolo[2,3-c]azepin-8-one | 1323444-34-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - Pyrroloazepines
• 英文名称: (4E)-1,7-dibenzyl-4-hydroxyimino-5,6-dihydropyrrolo[2,3-c]azepin-8-one
• CAS: 1323444-34-3
• 化学式: C₂₂H₂₁N₃O₂
• 分子量: 359.428
• InChiKey: FGRDMECZRZMELM-BSYVCWPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6,7-二氢吡咯并[2,3-c]氮杂卓-4,8(1H,5H)-二酮 在 盐酸羟胺 、 sodium acetate 、 sodium hydride 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 13.5h， 生成 (4E)-1,7-dibenzyl-4-hydroxyimino-5,6-dihydropyrrolo[2,3-c]azepin-8-one
  参考文献：
  名称：

  Pyrrolo[2,3-c]azepine derivatives: A new class of potent protein tyrosine phosphatase 1B inhibitors

  摘要：

  A series of pyrrolo[2,3-c] azepine derivatives was designed, synthesized, and evaluated as a new class of inhibitors against protein tyrosine phosphatase 1B (PTP1B) in vitro. The results demonstrated that compounds bearing a biphenyl moiety were proved to markedly influence the potency of these inhibitors. Particularly, compounds 29, 35 and 36 showed interesting inhibition with IC50 value of 16.36, 14.93 and 13.92 mu M, respectively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.052

文献信息

• Pyrrolo[2,3-c]azepine derivatives: A new class of potent protein tyrosine phosphatase 1B inhibitors
  作者：Jianwei Xie、Jinying Tian、Li Su、Manna Huang、Xinhai Zhu、Fei Ye、Yiqian Wan

  DOI：10.1016/j.bmcl.2011.05.052

  日期：2011.7

  A series of pyrrolo[2,3-c] azepine derivatives was designed, synthesized, and evaluated as a new class of inhibitors against protein tyrosine phosphatase 1B (PTP1B) in vitro. The results demonstrated that compounds bearing a biphenyl moiety were proved to markedly influence the potency of these inhibitors. Particularly, compounds 29, 35 and 36 showed interesting inhibition with IC50 value of 16.36, 14.93 and 13.92 mu M, respectively. (C) 2011 Elsevier Ltd. All rights reserved.