4-[4-(5-(phenyl)oxazol-2-yl)phenoxy]-(methoxy)benzene | 620633-09-2

• 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: 4-[4-(5-(phenyl)oxazol-2-yl)phenoxy]-(methoxy)benzene
• 英文别名: 2-[4-(4-Methoxyphenoxy)phenyl]-5-phenyl-1,3-oxazole
• CAS: 620633-09-2
• 化学式: C₂₂H₁₇NO₃
• 分子量: 343.382
• InChiKey: ZRLORPSVBXQBKE-UHFFFAOYSA-N

物化性质

• 沸点：
  512.1±60.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 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：
  44.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[4-(5-(phenyl)oxazol-2-yl)phenoxy]-(methoxy)benzene 生成 4-[4-(5-(phenyl)-oxazol-2-yl)-phenoxy]-phenol
  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：

  1-甲氧基-4-苯氧基苯 生成 4-[4-(5-(phenyl)oxazol-2-yl)phenoxy]-(methoxy)benzene
  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

文献信息

• Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors
  申请人：——

  公开号：US20040006057A1

  公开（公告）日：2004-01-08

  The present invention relates to triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione; metalloproteinase inhibitors of the formula 1 wherein X, A, Y, B, G, W, and R 1 are as defined in the specification, and to pharmaceutical compositions and methods of treating inflammation, cancer and other disorders.

  本发明涉及三芳基氧基吡啶二酮类金属蛋白酶抑制剂，其化学式为1，其中X、A、Y、B、G、W和R1如规范中所定义，并涉及用于治疗炎症、癌症和其他疾病的药物组合物和方法。
• TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS
  申请人：Pfizer Products Inc.

  公开号：EP1501515B1

  公开（公告）日：2005-11-02
• US7119201B2
  申请人：——

  公开号：US7119201B2

  公开（公告）日：2006-10-10