2-Chloro-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid | 903558-83-8

• 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: 2-Chloro-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid
• CAS: 903558-83-8
• 化学式: C₁₄H₁₁ClFN₃O₃
• 分子量: 323.711
• InChiKey: MNOXVSUSUUPFDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Chloro-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 4-氨甲基苯甲酸甲酯盐酸盐 在 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以44%的产率得到Methyl 4-[[[2-(benzotriazol-1-yloxy)-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoate
  参考文献：
  名称：

  WO2006/128184

  摘要：

  公开号：
• 作为产物：
  描述：

  Methyl 2-chloro-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate 在 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 2-Chloro-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylic acid
  参考文献：
  名称：

  WO2006/128184

  摘要：

  公开号：

文献信息

• Heterobicyclic metalloprotease inhibitors
  申请人：Steeneck Christoph

  公开号：US20070155738A1

  公开（公告）日：2007-07-05

  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：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
• [EN] HETEROBICYCLIC METALLOPROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE METALLOPROTEASE HETEROBICYCLIQUE
  申请人：ALANTOS PHARMACEUTICALS INC

  公开号：WO2006128184A2

  公开（公告）日：2006-11-30

  [EN] 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 compounds, that exhibit an increased potency in relation to currently known MMP- 13 inhibitors.
  [FR] La présente invention concerne d'une manière générale des agents pharmaceutiques contenant un groupe amide et, en particulier, des composés inhibiteurs de métalloprotéase hétérobicyclique contenant un amide. Cette invention concerne plus particulièrement une nouvelle classe de composés inhibiteurs MMP-13 hétérobicycliques qui présente une puissance améliorée par rapport aux inhibiteurs MMP- 13 connus jusqu'à présent.