2-(4,6-Dimethylpyrimidin-2-ylthio)-1-(4-hydroxyphenyl)ethanone | 1135306-45-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4,6-Dimethylpyrimidin-2-ylthio)-1-(4-hydroxyphenyl)ethanone
• 英文别名: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-hydroxyphenyl)ethanone
• CAS: 1135306-45-4
• 化学式: C₁₄H₁₄N₂O₂S
• mdl: MFCD17293057
• 分子量: 274.343
• InChiKey: MISJWMBJLVUJBP-UHFFFAOYSA-N

物化性质

• 沸点：
  501.7±45.0 °C(predicted)
• 密度：
  1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.214
• 拓扑面积：
  88.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯-4'-羟基苯乙酮 、 4,6-二甲基-2-巯基嘧啶 以 1,4-二氧六环 为溶剂， 生成 2-(4,6-Dimethylpyrimidin-2-ylthio)-1-(4-hydroxyphenyl)ethanone
  参考文献：
  名称：

  Design and synthesis of selective inhibitors of Placental Alkaline Phosphatase

  摘要：

  Placental Alkaline Phosphatase (PLAP) is a tissue-restricted isozyme of the Alkaline Phosphatase (AP) superfamily. PLAP is an oncodevelopmental enzyme expressed during pregnancy and in a variety of human cancers, but its biological function remains unknown. We report here a series of catechol compounds with great affinity for the PLAP isozyme and significant selectivity over other members of the AP superfamily. These selective PLAP inhibitors will provide small molecule probes for the study of the pathophysiological role of PLAP. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.12.012

文献信息

• Design and synthesis of selective inhibitors of Placental Alkaline Phosphatase
  作者：Marion Lanier、Eduard Sergienko、Ana Maria Simão、Ying Su、Thomas Chung、José Luis Millán、John R. Cashman

  DOI：10.1016/j.bmc.2009.12.012

  日期：2010.1

  Placental Alkaline Phosphatase (PLAP) is a tissue-restricted isozyme of the Alkaline Phosphatase (AP) superfamily. PLAP is an oncodevelopmental enzyme expressed during pregnancy and in a variety of human cancers, but its biological function remains unknown. We report here a series of catechol compounds with great affinity for the PLAP isozyme and significant selectivity over other members of the AP superfamily. These selective PLAP inhibitors will provide small molecule probes for the study of the pathophysiological role of PLAP. (C) 2009 Elsevier Ltd. All rights reserved.