| 1421479-48-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1421479-48-2
• 化学式: C₁₇H₁₄N₂
• 分子量: 246.312
• InChiKey: IIUUKBXJUBGVQP-YNRQVGSASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.36
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  36.15
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 bis(cyclopentadienyl)titanium chloride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (2S,2aS,3S)-2-methoxy-3-methyl-2a,3-dihydro-2H-azeto[1,2-a]quinoline-1,4-dione
  参考文献：
  名称：

  In vitro evaluation of the antielastase activity of polycyclic β-lactams

  摘要：

  A series of bi- and tricyclic beta-lactam compounds was synthesized and evaluated as inhibitors of cleavage of synthetic substrates in vitro by the serine proteases Human Leukocyte Elastase (HLE), Human Leukocyte Proteinase 3 (HLPR3) and Porcine Pancreatic Elastase (PPE). The obtained results have permitted us to describe a homobenzocarbacephem compound as HLE and HLPR3 inhibitor, to observe the positive effect that the styryl group exerts on the HLE inhibitory activity in polycyclic beta-lactam compounds and to conclude that the hydroxyl function decreases the HLE inhibitory activity or rules it out completely. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2012.08.001
• 作为产物：
  描述：

  反式-alpha-甲基肉桂醛 、 2-氨基苯甲腈 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  In vitro evaluation of the antielastase activity of polycyclic β-lactams

  摘要：

  A series of bi- and tricyclic beta-lactam compounds was synthesized and evaluated as inhibitors of cleavage of synthetic substrates in vitro by the serine proteases Human Leukocyte Elastase (HLE), Human Leukocyte Proteinase 3 (HLPR3) and Porcine Pancreatic Elastase (PPE). The obtained results have permitted us to describe a homobenzocarbacephem compound as HLE and HLPR3 inhibitor, to observe the positive effect that the styryl group exerts on the HLE inhibitory activity in polycyclic beta-lactam compounds and to conclude that the hydroxyl function decreases the HLE inhibitory activity or rules it out completely. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2012.08.001

文献信息

• Synthesis of polycyclic ?-lactams. Evolution of tertiary radicals generated by Cp2TiCl from 1,5- and 1,6-epoxynitriles
  作者：Laura M. Monlen、Manuel Grande、Josefa Anaya

  DOI：10.1016/j.tet.2011.11.015

  日期：2012.12

  Radical cyclisation induced by Cp2TiCl of several 1,5- and 1,6-epoxynitriles derived from beta-lactams gave 3-oxo-4-methyl-4-hydroxymethylcarbapenams or 4-oxo-5-methylbenzocarbacephems. Apart from these polycyclic beta-lactams, the generated alkyl tertiary radicals also evolved to enamides through beta-fragmentation and reduction and the tertiary homobenzyl radicals gave a 3,4-trans-6-hydroxymonolactam by hydrogen transfer. (C) 2011 Elsevier Ltd. All rights reserved.