12-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide | 1029684-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 12-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide
• CAS: 1029684-65-8
• 化学式: C₁₉H₁₆N₄O₄S
• 分子量: 396.426
• InChiKey: YCQNJRLXXMYBSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  137
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-(氨基甲基)-2H-苯并[b][1,4]噁嗪-3(4h)-酮盐酸盐 、 12-Oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxylic acid 在 N-甲基吗啉 、 N-羟基-7-氮杂苯并三氮唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以74%的产率得到12-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide
  参考文献：
  名称：

  WO2008/63667

  摘要：

  公开号：

文献信息

• Heterotricyclic metalloprotease inhibitors
  申请人：Gege Christian

  公开号：US20080207607A1

  公开（公告）日：2008-08-28

  The present invention relates generally to azatriocyclic containing pharmaceutical agents, and in particular, to azatricyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of azatricyclic MMP-3, MMP-8 and/or MMP-13 inhibiting compounds, that exhibit an increased potency and selectivity in relation to currently known MMP-13, MMP-8 and MMP-3 inhibitors.
• Heterotricyclic Metalloprotease Inhibitors
  申请人：Gege Christian

  公开号：US20100087420A1

  公开（公告）日：2010-04-08

  The present invention relates generally to azatriocyclic containing pharmaceutical agents, and in particular, to azatricyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of azatricyclic MMP-3, MMP-8 and/or MMP-13 inhibiting compounds, that exhibit an increased potency and selectivity in relation to currently known MMP-13, MMP-8 and MMP-3 inhibitors.
• US7749996B2
  申请人：——

  公开号：US7749996B2

  公开（公告）日：2010-07-06
• [EN] HETEROTRICYCLIC METALLOPROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE MÉTALLOPROTÉASE HÉTÉROTRICYCLIQUE
  申请人：ALANTOS PHARM HOLDING

  公开号：WO2008063667A1

  公开（公告）日：2008-05-29

  [EN] The present invention relates generally to azatricyclic containing pharmaceutical agents, and in particular, to azatricyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of azatricyclic MMP-3, MMP-8 and/or MMP-13 inhibiting compounds, that exhibit an increased potency and selectivity in relation to currently known MMP-13, MMP-8 and MMP-3 inhibitors.
  [FR] L'invention concerne, de manière générale, des agents pharmaceutiques contenant de l'azatricyclique, et notamment des composés inhibant la métalloprotéase azatricyclique. Cette invention concerne plus particulièrement une nouvelle classe de composés inhibant les MMP-3, MMP-8 et/ou MMP-13 azatricycliques, qui offre une puissance et une sélectivité améliorées par rapport aux inhibiteurs de MMP-13, MMP-8 et MMP-3 actuellement connus.
• WO2008/63667
  申请人：——

  公开号：——

  公开（公告）日：——