4-[7-(1H-Tetrazol-5-yl)-heptyloxy]-phenylamine | 458549-94-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[7-(1H-Tetrazol-5-yl)-heptyloxy]-phenylamine
• 英文别名: 4-[7-(2H-tetrazol-5-yl)heptoxy]aniline
• CAS: 458549-94-5
• 化学式: C₁₄H₂₁N₅O
• 分子量: 275.354
• InChiKey: BLTZGEVLYOQPDE-UHFFFAOYSA-N

物化性质

• 沸点：
  508.6±56.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4-Chloro-phenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester 、 4-[7-(1H-Tetrazol-5-yl)-heptyloxy]-phenylamine 以 xylene 为溶剂， 生成 1-(4-Chloro-phenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid {4-[7-(1H-tetrazol-5-yl)-heptyloxy]-phenyl}-amide
  参考文献：
  名称：

  Design, synthesis and In vitro evaluation of potent, novel, small molecule inhibitors of plasminogen activator inhibitor-1

  摘要：

  We have synthesized and evaluated a series of tetramic acid-based and hydroxvquinolinone-based inhibitors of plasminogen activator inhibitor-1 (PAI-1). These studies resulted in the identification of several compounds which showed excellent potency against PAI-1. The design, synthesis and SAR of these compounds are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00078-1
• 作为产物：
  描述：

  8-(4-Nitro-phenoxy)-octanenitrile 在 palladium on activated charcoal sodium azide 、 氢气 、 三乙胺盐酸盐 、 氯化铵 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-[7-(1H-Tetrazol-5-yl)-heptyloxy]-phenylamine
  参考文献：
  名称：

  Design, synthesis and In vitro evaluation of potent, novel, small molecule inhibitors of plasminogen activator inhibitor-1

  摘要：

  We have synthesized and evaluated a series of tetramic acid-based and hydroxvquinolinone-based inhibitors of plasminogen activator inhibitor-1 (PAI-1). These studies resulted in the identification of several compounds which showed excellent potency against PAI-1. The design, synthesis and SAR of these compounds are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00078-1

文献信息

• Design, synthesis and In vitro evaluation of potent, novel, small molecule inhibitors of plasminogen activator inhibitor-1
  作者：Adrian Folkes、S.David Brown、Lynne E. Canne、Jocelyn Chan、Erin Engelhardt、Sergey Epshteyn、Richard Faint、Julian Golec、Art Hanel、Patrick Kearney、James W. Leahy、Morrison Mac、David Matthews、Michael P. Prisbylla、Jason Sanderson、Reyna J. Simon、Zerom Tesfai、Nigel Vicker、Shouming Wang、Robert R. Webb、Peter Charlton

  DOI：10.1016/s0960-894x(02)00078-1

  日期：2002.4

  We have synthesized and evaluated a series of tetramic acid-based and hydroxvquinolinone-based inhibitors of plasminogen activator inhibitor-1 (PAI-1). These studies resulted in the identification of several compounds which showed excellent potency against PAI-1. The design, synthesis and SAR of these compounds are described. (C) 2002 Elsevier Science Ltd. All rights reserved.