6-(3-Pyridin-3-yl-prop-1-ynyl)-3-(4-carboxybenzyl)-1-methyl-1H-quinolin-4-one | 515172-16-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-(3-Pyridin-3-yl-prop-1-ynyl)-3-(4-carboxybenzyl)-1-methyl-1H-quinolin-4-one
• 英文别名: 4-[[1-Methyl-4-oxo-6-(3-pyridin-3-ylprop-1-ynyl)quinolin-3-yl]methyl]benzoic acid
• CAS: 515172-16-4
• 化学式: C₂₆H₂₀N₂O₃
• 分子量: 408.456
• InChiKey: ZMMQSGPVQXNIJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  70.5
• 氢给体数：
  1
• 氢受体数：
  5

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 inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib
  申请人：——

  公开号：US20040034085A1

  公开（公告）日：2004-02-19

  This invention provides a combination, comprising an allosteric inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, and 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 inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, and 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 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. The invention further provides a combination, comprising an allosteric inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with an NSAID, or a pharmaceutically acceptable salt thereof. 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 inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with an NSAID, or a pharmaceutically acceptable salt thereof. This invention also provides a pharmaceutical composition, comprising the invention combination comprising an allosteric 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. 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的变构抑制剂或其药学上可接受的盐，以及选择性COX-2抑制剂或其药学上可接受的盐，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抑制敏感的疾病的方法，包括向患有此类疾病的患者投与包含MMP-13的变构抑制剂或其药学上可接受的盐和选择性COX-2抑制剂或其药学上可接受的盐的发明组合物。本发明还提供了一种制药组合物，包括MMP-13的变构抑制剂或其药学上可接受的盐，选择性COX-2抑制剂或其药学上可接受的盐，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MMP-13的变构抑制剂或其药学上可接受的盐，以及NSAID或其药学上可接受的盐。本发明还提供了一种治疗对MMP-13和环氧合酶-2抑制敏感的疾病的方法，包括向患有此类疾病的患者投与包含MMP-13的变构抑制剂或其药学上可接受的盐和NSAID或其药学上可接受的盐的发明组合物。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：——

  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 celecoxib or valdecoxib
  申请人：——

  公开号：US20040023969A1

  公开（公告）日：2004-02-05

  The invention provides a combination, comprising an allosteric alkyne inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with celecoxib, or a pharmaceutically acceptable salt thereof, or valdecoxib, or a pharmaceutically acceptable salt thereof. 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 MMN-13, or a pharmaceutically acceptable salt thereof, with celecoxib, or a pharmaceutically acceptable salt thereof, or valdecoxib, 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 celecoxib, or a pharmaceutically acceptable salt thereof, or valdecoxib, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, diluent, or excipient. 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的变构亚烯酸酯抑制剂或其药学上可接受的盐，与Celecoxib或其药学上可接受的盐，或Valdecoxib或其药学上可接受的盐。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，该组合物包括MMP-13的变构亚烯酸酯抑制剂或其药学上可接受的盐，与Celecoxib或其药学上可接受的盐，或Valdecoxib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，该组合物包括MMP-13的变构亚烯酸酯抑制剂或其药学上可接受的盐，与Celecoxib或其药学上可接受的盐，或Valdecoxib或其药学上可接受的盐，并且还包括药学上可接受的载体、稀释剂或赋形剂。根据所治疗的疾病，本发明组合物还可以与其他药物组合使用。
• Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib
  申请人：——

  公开号：US20040034086A1

  公开（公告）日：2004-02-19

  This invention provides a combination, comprising an allosteric inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with celecoxib, or a pharmaceutically acceptable salt thereof, or valdecoxib, or a pharmaceutically acceptable salt thereof. 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. This invention also provides a pharmaceutical composition, comprising the invention combination and a pharmaceutically acceptable carrier, diluent, or excipient. The invention combination 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的异位抑制剂或其药学上可接受的盐与塞来昔布或其药学上可接受的盐或缬癸昔布或其药学上可接受的盐。本发明还提供了一种治疗对抑制 MMP-13 和环氧合酶-2 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的组合物。本发明还提供了一种药物组合物，包括本发明组合物和药学上可接受的载体、稀释剂或赋形剂。本发明组合物还可根据治疗的疾病进一步与其他药剂组合。