5-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid | 916213-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 5-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
• CAS: 916213-12-2
• 化学式: C₂₁H₁₇N₇O₅
• 分子量: 447.41
• InChiKey: QKENDIHRHCPJTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  173
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid 、 环己甲胺 在 N-羟基-7-氮杂苯并三氮唑 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 、 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 、 二氯甲烷 、 水 为溶剂， 以46%的产率得到5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-7-N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
  参考文献：
  名称：

  WO2006/128184

  摘要：

  公开号：

文献信息

• Heterobicyclic metalloprotease inhibitors
  申请人：Nolte Bert

  公开号：US20080176870A1

  公开（公告）日：2008-07-24

  The present invention relates generally to heterobicyclic containing pharmaceutical agents, and in particular, to heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic metalloprotease inhibiting compounds that exhibit an increased potency in relation to currently known metalloprotease inhibitors.

  本发明涉及含有杂环的药物，特别是含有杂环的金属蛋白酶抑制剂化合物。更具体地说，本发明提供了一类新的杂环金属蛋白酶抑制剂化合物，其相对于当前已知的金属蛋白酶抑制剂表现出更高的效力。
• 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.