4-(3-氟苯基)-1,3-恶唑 | 620971-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(3-氟苯基)-1,3-恶唑
• 英文名称: 4-(3-Fluoro-phenyl)-oxazole
• 英文别名: 4-(3-Fluorophenyl)oxazole；4-(3-fluorophenyl)-1,3-oxazole
• CAS: 620971-54-2
• 化学式: C₉H₆FNO
• 分子量: 163.151
• InChiKey: GCSVYXCQRFTJFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  4-(3-氟苯基)-1,3-恶唑 、 diethyl 1-(6-(4-iodophenoxy)pyridin-3-yl)pyrrolidine-2,2-dicarboxylate 在 Pd-catalyst 正丁基锂 、 锌 作用下， 生成 1-(6-{4-[4-(3-Fluoro-phenyl)-oxazol-2-yl]-phenoxy}-pyridin-3-yl)-pyrrolidine-2,2-dicarboxylic acid diethyl ester
  参考文献：
  名称：

  Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13

  摘要：

  Explorations in the pyrimidinetrione series of MMP-13 inhibitors led to the discovery of a series of spiro-fused compounds that are potent and selective inhibitiors of MMP-13. While other spiro-fused motifs are hydrolytically unstable, presumably due to electronic destabilization of the pyrimidinetrione ring, the spiropyrrolidine series does not share this liability. Greater than 100-fold selectivity versus other MMP family members was achieved by incorporation of an extended aryl-heteroaryl P1' group. When dosed as the sodium salt, these compounds displayed excellent oral absorption and pharmacokinetic properties. Despite the selectivity, a representative of this series produced fibroplasia in a 14 day rat study. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.085
• 作为产物：
  描述：

  3'-氟苯乙酮 、 sodium formate 、 ammonium acetate 在 溶剂黄146 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 25.5h， 生成 4-(3-氟苯基)-1,3-恶唑
  参考文献：
  名称：

  Triaryl-oxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors

  摘要：

  本发明涉及一种三芳基氧基芳基螺环嘧啶-2,4,6-三酮金属蛋白酶抑制剂，其化学式为1，其中所述的环X为5-7成员杂环，且其中A、Y、B、G和W如规范中定义；以及用于治疗炎症、癌症和其他疾病的药物组合物和方法。

  公开号：

  US20030225056A1

文献信息

• TRIARYL-OXY-ARYL-SPIRO-PYRIMIDINE-2, 4, 6-TRIONE METALLOPROTEINASE INHIBITORS
  申请人：Pfizer Products Inc.

  公开号：EP1501834B1

  公开（公告）日：2005-09-07
• US6916807B2
  申请人：——

  公开号：US6916807B2

  公开（公告）日：2005-07-12
• [EN] TRIARYL-OXY-ARYL-SPIRO-PYRIMIDINE-2, 4, 6-TRIONE METALLOPROTEINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA TRIARYL-OXY-ARYL-SPIRO-PYRIMIDINE-2, 4, 6-TRIONE METALLOPROTEINASE
  申请人：PFIZER PROD INC

  公开号：WO2003091259A1

  公开（公告）日：2003-11-06

  The present invention relates to triaryl-oxy-aryl-spiro-pyrimidine-2, 4, 6-trione metalloproteinase inhibitors of the formula (I) wherein said ring X is a 5-7 membered heterocyclic ring, and wherein A, Y, B, G and W are as defined in the specification; and to pharmaceutical compositions and methods of treating inflammation, cancer and other disorders.