5-methyl-5-(4-phenoxyphenyl) pyrimidine-2,4,6-trione | 288102-94-3

• 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: 5-methyl-5-(4-phenoxyphenyl) pyrimidine-2,4,6-trione
• 英文别名: 5-methyl-5-(4-phenoxyphenyl)-pyrimidine-2,4,6-trione；5-Methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione；5-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
• CAS: 288102-94-3
• 化学式: C₁₇H₁₄N₂O₄
• 分子量: 310.309
• InChiKey: RTBMLCLTYAPKIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-methyl-5-(4-phenoxyphenyl) pyrimidine-2,4,6-trione 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 1-N-methyl-5-methyl-5-(4-phenoxyphenyl)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
• 作为产物：
  描述：

  methyl 2-(4-phenoxyphenyl)acetate 在 sodium hydride 、 magnesium methanolate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 5-methyl-5-(4-phenoxyphenyl) 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

• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。
• PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1153015A1

  公开（公告）日：2001-11-14
• ADVANCED DRUG DEVELOPMENT AND MANUFACTURING
  申请人：Los Alamos National Security, LLC

  公开号：EP2084519A2

  公开（公告）日：2009-08-05
• X-RAY FLUORESCENCE ANALYSIS METHOD
  申请人：Los Alamos National Security, LLC

  公开号：EP2084519B1

  公开（公告）日：2012-08-01
• X-ray microscope
  申请人：XRpro Sciences, Inc.

  公开号：EP2511844B1

  公开（公告）日：2015-08-12