5-biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione | 94209-48-0

• 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: 5-biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione
• 英文别名: 5-Ethyl-5-<4>biphenylyl-barbitursaeure；5-(4-Biphenylyl)-5-ethylbarbituric acid；5-ethyl-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione
• CAS: 94209-48-0
• 化学式: C₁₈H₁₆N₂O₃
• 分子量: 308.337
• InChiKey: XWZIZWWEAJZAMO-UHFFFAOYSA-N

物化性质

• 密度：
  1.216±0.06 g/cm3(Predicted)
• 溶解度：
  4.6 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  75.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [1,1-联苯]-4-乙酸甲酯 在 sodium hydride 、 magnesium methanolate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 5-biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione
  参考文献：
  名称：

  Novel 5,5-disubstitutedpyrimidine-2,4,6-triones as selective MMP inhibitors

  摘要：

  The 5.5-disubstitutedpyrimidine-2,4.6-trione represent a new class of MIL IP inhibitors showing selectivity for the gelatinases A and B, collagenase-3, and human neutrophil collagenase. The SAR presented here is in good agreement with an X-ray structure of compound 5 bound to the catalytic domain of stromelysin-1. While of the barbiturate structural class, compound 5 did not show any toxic or sedative effects. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00104-4

文献信息

• Novel 5,5-disubstitutedpyrimidine-2,4,6-triones as selective MMP inhibitors
  作者：Louise H Foley、Robert Palermo、Pete Dunten、Ping Wang

  DOI：10.1016/s0960-894x(01)00104-4

  日期：2001.4

  The 5.5-disubstitutedpyrimidine-2,4.6-trione represent a new class of MIL IP inhibitors showing selectivity for the gelatinases A and B, collagenase-3, and human neutrophil collagenase. The SAR presented here is in good agreement with an X-ray structure of compound 5 bound to the catalytic domain of stromelysin-1. While of the barbiturate structural class, compound 5 did not show any toxic or sedative effects. (C) 2001 Elsevier Science Ltd. All rights reserved.