4-{7-[(pyridin-4-ylmethyl)-carbamoyl]-5-oxo-5H-[1,2,4]triazolo[4,3-a]quinazol-4-ylmethyl}benzoic acid | 449211-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-{7-[(pyridin-4-ylmethyl)-carbamoyl]-5-oxo-5H-[1,2,4]triazolo[4,3-a]quinazol-4-ylmethyl}benzoic acid
• 英文别名: 4-[[5-Oxo-7-(pyridin-4-ylmethylcarbamoyl)-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]methyl]benzoic acid
• CAS: 449211-32-9
• 化学式: C₂₄H₁₈N₆O₄
• 分子量: 454.445
• InChiKey: FRYLUMQFQIKBLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib
  申请人：——

  公开号：US20040019053A1

  公开（公告）日：2004-01-29

  This invention provides a combination, comprising an allosteric carboxylic 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 carboxylic 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 pharmaceutical composition, comprising the invention combination comprising an allosteric carboxylic 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 combination may also be further combined with other pharmaceutical agents depending on the disease being treated.

  该发明提供了一种组合物，包括MMP-13的变构羧酸抑制剂或其药用盐，与Celecoxib或其药用盐，或Valdecoxib或其药用盐。该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，包括向患有这种疾病的患者施用包括MMP-13的变构羧酸抑制剂或其药用盐，与Celecoxib或其药用盐，或Valdecoxib或其药用盐的组合物。该发明还提供了一种药物组合物，包括包括MMP-13的变构羧酸抑制剂或其药用盐，与Celecoxib或其药用盐，或Valdecoxib或其药用盐的组合物，以及药用载体、稀释剂或赋形剂。该发明组合物还可以根据所治疗的疾病进一步与其他药物代理结合。
• Triazolo compounds as MMP inhibitors
  申请人：——

  公开号：US20020151558A1

  公开（公告）日：2002-10-17

  A compound selected from those of formula (I): 1 in which: W represents N or C—R 1 ; in which R 1 is as defined in the description, X represents N or C—R 2 in which R 2 is as defined in the description, Y represents a group selected from oxygen, sulfur, —NH, and —Nalkyl, Z represents a group selected from oxygen, sulphur, —NR 8 in which R 8 is as defined in the description, and optionally carbon depending the definition of Y, n is an integer from 0 to 8 inclusive, Z 1 represents a group —CR 9 R 10 wherein R 9 and R 10 , are as defined in the description, which group contains optionally multiple bonds or heteroatomes, A represents a cyclic group, m is an integer from 0 to 7 inclusive, the group(s) R 4 is (are) as defined in the description, R 3 represents a group selected from hydrogen, alkyl, alkenyl, alkynyl, and the group of formula: 2 in which p, Z 2 , B, q, and R 13 are as defined in the description, optionally, its racemic forms, isomers thereof, N-oxydes thereof, and its the pharmaceutically acceptable salts thereof, and medicinal products containing the same are useful as specific inhibitors of type-13 matrix mettaloprotease.

  从式（I）中选择的化合物：其中：W代表N或C—R1；其中R1如说明中所定义，X代表N或C—R2，其中R2如说明中所定义，Y代表从氧、硫、—NH和—N烷基中选择的基团，Z代表从氧、硫、—NR8中选择的基团，其中R8如说明中所定义，并根据Y的定义可选碳，n为0至8的整数（含0和8），Z1代表一个基团—CR9R10，其中R9和R10如说明中所定义，该基团可选地包含多个键或杂原子，A代表一个环状基团，m为0至7的整数（含0和7），基团R4如说明中所定义，R3代表从氢、烷基、烯基、炔基和式（2）所示的基团中选择的基团，其中p、Z2、B、q和R13如说明中所定义，可选地包括其外消旋体、同分异构体、N-氧化物及其药学上可接受的盐，以及含有其的药物制剂，作为第13型基质金属蛋白酶的特异性抑制剂是有用的。
• 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。
• TRIAZOLO COMPOUNDS AS MMP INHIBITORS
  申请人：Warner-Lambert Company LLC

  公开号：EP1362048B1

  公开（公告）日：2005-05-04
• US6849637B2
  申请人：——

  公开号：US6849637B2

  公开（公告）日：2005-02-01