Methyl 6-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-5-fluoropyrimidine-4-carboxylate | 916213-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Methyl 6-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-5-fluoropyrimidine-4-carboxylate
• CAS: 916213-48-4
• 化学式: C₁₄H₁₀ClF₂N₃O₃
• 分子量: 341.702
• InChiKey: ZPLLHTLEPJGPOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Methyl 6-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-5-fluoropyrimidine-4-carboxylate 在 甲醇 、 sodium hydroxide 、 盐酸 、 水 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以93%的产率得到6-[(3-Chloro-4-fluorophenyl)methylcarbamoyl]-5-fluoropyrimidine-4-carboxylic acid
  参考文献：
  名称：

  WO2008/63669

  摘要：

  公开号：
• 作为产物：
  描述：

  5-Fluoro-6-(methoxycarbonyl)pyrimidine-4-carboxylic acid 、 3-氯-4-氟苄胺 在 N-甲基吗啉 、 N-羟基-7-氮杂苯并三氮唑 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以32%的产率得到Methyl 6-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-5-fluoropyrimidine-4-carboxylate
  参考文献：
  名称：

  WO2008/63669

  摘要：

  公开号：

文献信息

• Metalloprotease inhibitors
  申请人：Sucholeiki Irving

  公开号：US20080021024A1

  公开（公告）日：2008-01-24

  The present invention relates to amide containing aromatic MMP inhibiting compounds with a mono-amide heteroaromatic group, of formulas I and II:

  本发明涉及具有含芳香族MMP抑制化合物的酰胺，其具有单酰胺杂芳基团，化学式I和II：
• Heterobicyclic metalloprotease inhibitors
  申请人：Bluhm Harald

  公开号：US20080221092A1

  公开（公告）日：2008-09-11

  The present invention relates generally to amide containing heterobicyclic containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-3 and/or MMP-13 inhibiting compounds that exhibit an increased potency and selectivity in relation to currently known MMP-13 and MMP-3 inhibitors.

  本发明通常涉及含有酰胺的杂双环含有药物作用的化合物，特别地，涉及含有酰胺的杂双环金属蛋白酶抑制剂。更具体地，本发明提供了一类新型的杂双环MMP-3和/或MMP-13抑制剂化合物，相对于目前已知的MMP-13和MMP-3抑制剂，这些化合物表现出更高的效力和选择性。
• Heterobicyclic Metalloprotease Inhibitors
  申请人：STEENECK Christoph

  公开号：US20090312312A1

  公开（公告）日：2009-12-17

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• HETEROBICYCLIC METALLOPROTEASE INHIBITORS
  申请人：Steeneck Christoph

  公开号：US20120015920A1

  公开（公告）日：2012-01-19

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• US7795245B2
  申请人：——

  公开号：US7795245B2

  公开（公告）日：2010-09-14