Tert-butyl [2-[4-(4-cyanophenyl)phenoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate | 220615-54-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Tert-butyl [2-[4-(4-cyanophenyl)phenoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
• 英文别名: tert-butyl [2-[4-(4-cyanophenyl)phenoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
• CAS: 220615-54-3
• 化学式: C₂₅H₃₀N₂O₆
• 分子量: 454.523
• InChiKey: IGVKRBKNQLYXLY-UHFFFAOYSA-N

物化性质

• 沸点：
  558.4±60.0 °C(predicted)
• 密度：
  1.19±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  98.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Tert-butyl [2-[4-(4-cyanophenyl)phenoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以75%的产率得到4'-(2-Hydroxyamino-ethoxy)-biphenyl-4-carbonitrile
  参考文献：
  名称：

  Biaryl Ether Retrohydroxamates as Potent, Long-lived, Orally Bioavailable MMP Inhibitors

  摘要：

  A novel series of biaryl ether reverse hydroxamate MMP inhibitors has been developed. These compounds are potent MMP-2 inhibitors with limited activity against MMP-1. Select members of this series exhibit excellent pharmacokinetic properties with long elimination half-lives (7 h) and high oral bioavailability (100%). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00031-2
• 作为产物：
  描述：

  氰基联苯酚 在 sodium hydride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Tert-butyl [2-[4-(4-cyanophenyl)phenoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
  参考文献：
  名称：

  Biaryl Ether Retrohydroxamates as Potent, Long-lived, Orally Bioavailable MMP Inhibitors

  摘要：

  A novel series of biaryl ether reverse hydroxamate MMP inhibitors has been developed. These compounds are potent MMP-2 inhibitors with limited activity against MMP-1. Select members of this series exhibit excellent pharmacokinetic properties with long elimination half-lives (7 h) and high oral bioavailability (100%). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00031-2

文献信息

• Biaryl Ether Retrohydroxamates as Potent, Long-lived, Orally Bioavailable MMP Inhibitors
  作者：Michael R. Michaelides、Joseph F. Dellaria、Jane Gong、James H. Holms、Jennifer J. Bouska、Jamie Stacey、Carol K. Wada、H.Robin Heyman、Michael L. Curtin、Yan Guo、Carole L. Goodfellow、Ildiko B. Elmore、Daniel H. Albert、Terrance J. Magoc、Patrick A. Marcotte、Douglas W. Morgan、Steven K. Davidsen

  DOI：10.1016/s0960-894x(01)00031-2

  日期：2001.6

  A novel series of biaryl ether reverse hydroxamate MMP inhibitors has been developed. These compounds are potent MMP-2 inhibitors with limited activity against MMP-1. Select members of this series exhibit excellent pharmacokinetic properties with long elimination half-lives (7 h) and high oral bioavailability (100%). (C) 2001 Elsevier Science Ltd. All rights reserved.