3-Hydroxy-1-[[5-(4-methoxyphenoxy)thiophen-2-yl]sulfonylmethyl]pyridin-2-one | 1009372-70-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Hydroxy-1-[[5-(4-methoxyphenoxy)thiophen-2-yl]sulfonylmethyl]pyridin-2-one
• CAS: 1009372-70-6
• 化学式: C₁₇H₁₅NO₆S₂
• 分子量: 393.441
• InChiKey: LJTOKVQVUWPBDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-benzyloxy-1-[5-(4-methoxy-phenoxy)-thiophene-2-sulfonylmethyl]-1H-pyridin-2-one 在 甲烷磺酸 作用下， 反应 0.25h， 以90%的产率得到3-Hydroxy-1-[[5-(4-methoxyphenoxy)thiophen-2-yl]sulfonylmethyl]pyridin-2-one
  参考文献：
  名称：

  Syntheses and in vitro evaluation of arylsulfone-based MMP inhibitors with heterocycle-derived zinc-binding groups (ZBGs)

  摘要：

  Several classes of arylsulfone-based MMP-2/-9 inhibitors utilizing 6- to 8-membered heterocyclic rings as zinc-binding groups (ZBGs) have been synthesized and their enzyme inhibitory activities were evaluated. Although a number of 6- and 7-membered heterocycles were effective, the most potent arylsulfone inhibitors are based on the rigid 1- or 3-hydroxypyridone ZBG. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.049