2-(4-(4-methoxyphenoxy)phenyl)-5-phenyl-[1,3,4]oxadiazole | 620633-51-4

• 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: 2-(4-(4-methoxyphenoxy)phenyl)-5-phenyl-[1,3,4]oxadiazole
• 英文别名: 2-[4-(4-Methoxyphenoxy)phenyl]-5-phenyl-1,3,4-oxadiazole
• CAS: 620633-51-4
• 化学式: C₂₁H₁₆N₂O₃
• 分子量: 344.37
• InChiKey: KOFLLOPDYTUVOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  57.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-(4-methoxyphenoxy)phenyl)-5-phenyl-[1,3,4]oxadiazole 生成 2-(4-(4-hydroxyphenoxy)phenyl)-5-phenyl-[1,3,4]oxadiazole
  参考文献：
  名称：

  Potent, selective pyrimidinetrione-based inhibitors of MMP-13

  摘要：

  Using SAR from two related series of pyrimidinetrione-based inhibitors, compounds with potent MMP-13 inhibition and > 100-fold selectivity against other MMPs have been identified. Despite high molecular weights, c log Ps, and polar surface areas, the compounds are generally well absorbed and have excellent pharmacokinetic (PK) properties when dosed as sodium salts. In a rat fibrosis model, a compound from the series displayed no fibrosis at exposures many fold greater than its MMP-13 IC50. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.066
• 作为产物：
  描述：

  N-(4-(4-methoxyphenoxy)benzoyl)-N'-benzoylhydrazine 在 氯化亚砜 作用下， 生成 2-(4-(4-methoxyphenoxy)phenyl)-5-phenyl-[1,3,4]oxadiazole
  参考文献：
  名称：

  Potent, selective pyrimidinetrione-based inhibitors of MMP-13

  摘要：

  Using SAR from two related series of pyrimidinetrione-based inhibitors, compounds with potent MMP-13 inhibition and > 100-fold selectivity against other MMPs have been identified. Despite high molecular weights, c log Ps, and polar surface areas, the compounds are generally well absorbed and have excellent pharmacokinetic (PK) properties when dosed as sodium salts. In a rat fibrosis model, a compound from the series displayed no fibrosis at exposures many fold greater than its MMP-13 IC50. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.066