4-{7-[2-(4-Methoxy-phenyl)-acetylamino]-1-oxo-1H-isoquinolin-2-ylmethyl}-benzoic Acid | 724707-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 4-{7-[2-(4-Methoxy-phenyl)-acetylamino]-1-oxo-1H-isoquinolin-2-ylmethyl}-benzoic Acid
• 英文别名: 4-{7-[2-(4-methoxyphenyl)acetylamino]-1-oxo-1H-isoquinolin-2-ylmethyl}benzoic acid；4-[[7-[[2-(4-methoxyphenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]methyl]benzoic acid
• CAS: 724707-68-0
• 化学式: C₂₆H₂₂N₂O₅
• 分子量: 442.471
• InChiKey: JNIUBAKGLCSMHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-{7-[2-(4-methoxyphenyl)acetylamino]-1-oxo-1H-isoquinolin-2-ylmethyl}benzoic Acid Tert-butyl Ester 在 三氟乙酸 作用下， 反应 0.83h， 以89.5%的产率得到4-{7-[2-(4-Methoxy-phenyl)-acetylamino]-1-oxo-1H-isoquinolin-2-ylmethyl}-benzoic Acid
  参考文献：
  名称：

  Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor

  摘要：

  这项发明涉及一种基质金属蛋白酶-13的变构抑制剂，或其药用盐，以及α-2-δ受体的配体，或其药用盐的组合，包括该组合的药物组合物，以及使用该组合来治疗哺乳动物患有的疾病或紊乱的方法，其中该疾病或紊乱在一方面通过MMP-13的变构抑制剂治疗，在另一方面或不同方面通过α-2-δ受体的配体治疗。

  公开号：

  US20050004177A1

文献信息

• Amide and ester matrix metalloproteinase inhibitors
  申请人：——

  公开号：US20040142950A1

  公开（公告）日：2004-07-22

  This invention provides compounds of Formula I 1 or a pharmaceutically acceptable salt thereof, wherein G 1 , Q, D, and G 2 are as defined above for Formula I. Compounds of Formula I, or a pharmaceutically acceptable salt thereof, are inhibitors of MMP-13. The compounds are useful for treating diseases mediated by MMP-13, including the diseases recited herein such as breast cancer, cartilage damage, rheumatoid arthritis, and osteoarthritis.

  该发明提供了公式I1的化合物或其药用盐，其中G1、Q、D和G2如上述的公式I中定义。公式I的化合物或其药用盐是MMP-13的抑制剂。这些化合物对治疗由MMP-13介导的疾病有用，包括在此列举的疾病，如乳腺癌、软骨损伤、类风湿性关节炎和骨关节炎。
• AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS
  申请人：Warner-Lambert Company LLC

  公开号：EP1587516A1

  公开（公告）日：2005-10-26
• COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR
  申请人：Warner-Lambert Company LLC

  公开号：EP1680125A1

  公开（公告）日：2006-07-19
• [EN] AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS<br/>[FR] INHIBITEURS DE METALLOPROTEINASES DE MATRICE A BASE D'AMIDES ET D'ESTERS
  申请人：WARNER LAMBERT CO

  公开号：WO2004064842A1

  公开（公告）日：2004-08-05

  This invention provides compounds of Formula I or a pharmaceutically acceptable salt thereof, wherein G1, Q, D, and G2 are as defined above for Formula I. Compounds of Formula I, or a pharmaceutically acceptable salt thereof, are inhibitors of MMP-13. The compounds are useful for treating diseases mediated by MMP-13, including the diseases recited herein such as breast cancer, cartilage damage, rheumatoid arthritis, and osteoarthritis.
• [EN] COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR<br/>[FR] COMBINAISON D'UN INHIBITEUR ALLOSTERIQUE DE LA METALLOPROTEINASE-13 MATRICIELLE ET D'UN LIGAND AU RECEPTEUR ALPHA-2-DELTA
  申请人：WARNER LAMBERT CO

  公开号：WO2005002585A1

  公开（公告）日：2005-01-13

  This invention relates to a combination of an allosteric inhibitor of matrix metalloproteinase-13, or a pharmaceutically acceptable salt thereof, and a ligand to an alpha-2-delta receptor, or a pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising the combination, and a method of using the combination to treat a disease or disorder in a mammal suffering therefrom, wherein the disease or disorder is responsive to treatment in one aspect by an allosteric inhibitor of MMP-13 and in the same or a different aspect by a ligand to an alpha-2-delta receptor.