4-[7-methyl-4,6-dioxo-2-(3-phenyl-prop-1-ynyl)-6,7-dihydro-4H-1,4l4-dithia-3,5,7-triaza-inden-5-ylmethyl]-benzoic acid | 1175129-12-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 1,3-噻唑并[5,4-d]嘧啶
• 英文名称: 4-[7-methyl-4,6-dioxo-2-(3-phenyl-prop-1-ynyl)-6,7-dihydro-4H-1,4l4-dithia-3,5,7-triaza-inden-5-ylmethyl]-benzoic acid
• 英文别名: 4-[[4-Methyl-1,3-dioxo-6-(3-phenylprop-1-ynyl)-[1,3]thiazolo[5,4-e][1,2,4]thiadiazin-2-yl]methyl]benzoic acid
• CAS: 1175129-12-0
• 化学式: C₂₂H₁₇N₃O₄S₂
• 分子量: 451.527
• InChiKey: YRNMQVYFZWTOBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Alkyne matrix metalloproteinase inhibitors
  申请人：——

  公开号：US20030144274A1

  公开（公告）日：2003-07-31

  A compound of Formula I 1 or a pharmaceutically acceptable salt thereof, or a tautomer thereof, wherein G 1 , G 2 , and B are as defined in the application, are selective inhibitors of MMP-13. The compounds are useful for treating diseases mediated by MMP-13, including cancer and arthritis.

  Formula I1的化合物或其药用可接受的盐，或其互变异构体，其中G1、G2和B如申请中所定义，是MMP-13的选择性抑制剂。这些化合物可用于治疗由MMP-13介导的疾病，包括癌症和关节炎。
• Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib
  申请人：——

  公开号：US20040019055A1

  公开（公告）日：2004-01-29

  The invention provides a combination, comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with a selective inhibitor of COX-2, or a pharmaceutically acceptable salt thereof, that is not celecoxib or valdecoxib. This invention also provides a method of treating a disease that is responsive to inhibition of MMP-13 and cyclooxygenase-2, comprising administering to a patient suffering from such a disease the invention combination comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with a selective inhibitor of COX-2, or a pharmaceutically acceptable salt thereof, that is not celecoxib or valdecoxib. This invention also provides a pharmaceutical composition, comprising the invention combination comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with a selective inhibitor of COX-2, or a pharmaceutically acceptable salt thereof, that is not celecoxib or valdecoxib, and a pharmaceutically acceptable carrier, diluent, or excipient. This invention also provides a combination comprising an NSAID, or a pharmaceutically acceptable salt thereof, and an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof. This invention also provides a pharmaceutical composition, comprising the invention combination comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with an NSAID, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, diluent, or excipient. This invention also provides a method of treating a disease that is responsive to inhibition of MMP-13 and cyclooxygenase-1 or cyclooxygenase-2, comprising administering to a patient suffering from such a disease the invention combination comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with an NSAID, or a pharmaceutically acceptable salt thereof. The invention combinations may also be further combined with other pharmaceutical agents depending on the disease being treated.

  本发明提供了一种组合物，包括MMP-13的变构异构烯烃抑制剂或其药学上可接受的盐，与COX-2的选择性抑制剂或其药学上可接受的盐的组合物，但不包括Celecoxib或Valdecoxib。本发明还提供了一种治疗对MMP-13和环氧合酶-2抑制有反应的疾病的方法，包括向患有此类疾病的患者施用本发明组合物，包括MMP-13的变构异构烯烃抑制剂或其药学上可接受的盐，与COX-2的选择性抑制剂或其药学上可接受的盐的组合物，但不包括Celecoxib或Valdecoxib。本发明还提供了一种药物组合物，包括本发明组合物，包括MMP-13的变构异构烯烃抑制剂或其药学上可接受的盐，与COX-2的选择性抑制剂或其药学上可接受的盐的组合物，但不包括Celecoxib或Valdecoxib，以及药学上可接受的载体、稀释剂或赋形剂。本发明还提供了一种组合物，包括NSAID或其药学上可接受的盐，以及MMP-13的变构异构烯烃抑制剂或其药学上可接受的盐。本发明还提供了一种药物组合物，包括本发明组合物，包括MMP-13的变构异构烯烃抑制剂或其药学上可接受的盐，与NSAID或其药学上可接受的盐的组合物，以及药学上可接受的载体、稀释剂或赋形剂。本发明还提供了一种治疗对MMP-13和环氧合酶-1或环氧合酶-2抑制有反应的疾病的方法，包括向患有此类疾病的患者施用本发明组合物，包括MMP-13的变构异构烯烃抑制剂或其药学上可接受的盐，与NSAID或其药学上可接受的盐的组合物。本发明的组合物也可以根据所治疾病进一步与其他药物组合使用。
• COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB
  申请人：Warner-Lambert Company LLC

  公开号：EP1525030A1

  公开（公告）日：2005-04-27
• US6849648B2
  申请人：——

  公开号：US6849648B2

  公开（公告）日：2005-02-01
• [EN] COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB<br/>[FR] COMBINAISON D'UN INHIBITEUR ALCYNE ALLOSTERIQUE DE METALLOPROTEINASE MATRICIELLE 13 AVEC UN INHIBITEUR SELECTIF DE CYCLOOXYGENASE-2, A L'EXCEPTION DU CELECOXIB OU DU VALDECOXIB
  申请人：WARNER LAMBERT CO

  公开号：WO2004007025A1

  公开（公告）日：2004-01-22

  The invention provides a combination, comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with a selective inhibitor of COX-2, or a pharmaceutically acceptable salt thereof, that is not celecoxib or valdecoxib. This invention also provides a method of treating a disease that is responsive to inhibition of MMP-13 and cyclooxygenase-2, comprising administering to a patient suffering from such a disease the invention combination comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with a selective inhibitor of COX-2, or a pharmaceutically acceptable salt thereof, that is not celecoxib or valdecoxib. This invention also provides a pharmaceutical composition, comprising the invention combination comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with a selective inhibitor of COX-2, or a pharmaceutically acceptable salt thereof, that is not celecoxib or valdecoxib, and a pharmaceutically acceptable carrier, diluent, or excipient. This invention also provides a combination comprising an NSAID, or a pharmaceutically acceptable salt thereof, and an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof. This invention also provides a pharmaceutical composition, comprising the invention combination comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with an NSAID, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, diluent, or excipient. This invention also provides a method of treating a disease that is responsive to inhibition of MMP-13 and cyclooxygenase 1 or cyclooxygenase-2, comprising administering to a patient suffering from such a disease the invention combination comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with an NSAID, or a pharmaceutically acceptable salt thereof. The invention combinations may also be further combined with other pharmaceutical agents depending on the disease being treated.