4-({4-[4-(2-methoxyethoxy)phenyl]piperazinyl}sulfonyl)perhydro-2H-pyran-4-carboxylic acid | 622386-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-({4-[4-(2-methoxyethoxy)phenyl]piperazinyl}sulfonyl)perhydro-2H-pyran-4-carboxylic acid
• 英文别名: 4-[4-[4-(2-Methoxyethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxylic acid
• CAS: 622386-71-4
• 化学式: C₁₉H₂₈N₂O₇S
• 分子量: 428.507
• InChiKey: DHCHJQQYFXWQNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  O-(四氢-2H-吡喃-2-基)羟基胺 、 4-({4-[4-(2-methoxyethoxy)phenyl]piperazinyl}sulfonyl)perhydro-2H-pyran-4-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 [4-({4-[4-(2-methoxyethoxy)phenyl]piperazinyl}sulfonyl)perhydro-2H-pyran-4-yl]-N-perhydro-2H-pyran-2-yloxycarboxamide
  参考文献：
  名称：

  Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors

  摘要：

  这项发明通常涉及蛋白酶抑制剂（也称为“蛋白酶”），更具体地涉及对哌啶基和哌嗪基磺酰甲基羟肟酸的抑制作用，其中包括抑制基质金属蛋白酶（也称为“基质金属蛋白酶”或“MMP”）活性和/或聚集素酶活性。这些羟肟酸通常在结构上对应于以下公式： （其中A 1 ，A 2 ，Y，E 1 ，E 2 ，E 3 和R x 如本说明书中所定义），并进一步包括这些化合物的盐。这项发明还涉及这些羟肟酸的组合物，合成这些羟肟酸的中间体，制备这些羟肟酸的方法，以及治疗与MMP活性和/或聚集素酶活性相关的病症（特别是病理性病症）的方法。

  公开号：

  US20050009838A1
• 作为产物：
  描述：

  tert-butyl 4-({4-[4-(2-methoxyethoxy)phenyl]piperazinyl}sulfonyl)perhydro-2H-pyran-4-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以67%的产率得到4-({4-[4-(2-methoxyethoxy)phenyl]piperazinyl}sulfonyl)perhydro-2H-pyran-4-carboxylic acid
  参考文献：
  名称：

  Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors

  摘要：

  这项发明通常涉及蛋白酶抑制剂（也称为“蛋白酶”），更具体地涉及对哌啶基和哌嗪基磺酰甲基羟肟酸的抑制作用，其中包括抑制基质金属蛋白酶（也称为“基质金属蛋白酶”或“MMP”）活性和/或聚集素酶活性。这些羟肟酸通常在结构上对应于以下公式： （其中A 1 ，A 2 ，Y，E 1 ，E 2 ，E 3 和R x 如本说明书中所定义），并进一步包括这些化合物的盐。这项发明还涉及这些羟肟酸的组合物，合成这些羟肟酸的中间体，制备这些羟肟酸的方法，以及治疗与MMP活性和/或聚集素酶活性相关的病症（特别是病理性病症）的方法。

  公开号：

  US20050009838A1

文献信息

• PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACID AND THEIR USE AS PROTEASE INHIBITORS
  申请人：Pharmacia Corporation

  公开号：EP1501827A2

  公开（公告）日：2005-02-02
• PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS
  申请人：Pharmacia Corporation

  公开号：EP1689743A2

  公开（公告）日：2006-08-16
• US7119203B2
  申请人：——

  公开号：US7119203B2

  公开（公告）日：2006-10-10
• [EN] PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS<br/>[FR] ACIDES PIPERIDINYLSULFONYLMETHYLHYDROXAMIQUES ET PIPERAZINYLSULFONYLMETHYLHYDROXAMIQUES ET LEUR UTILISATION COMME INHIBITEURS DE PROTEASE
  申请人：PHARMACIA CORP

  公开号：WO2003091247A2

  公开（公告）日：2003-11-06

  This invention is directed generally to proteinase (also known as 'protease') inhibitors, and more particularly, to piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids that inter alia, inhibit matrix metalloproteinase (also known as 'matrix metalloprotease' or 'MMP') activity and/or aggrecanase activity. Such hydroxamic acids generally correspond in structure to formula (I), (Wherein A1, A2, Y, E1, E2, E3, and Rx are as defined in this specification), and further include salts of such compounds. This invention also is directed to compositions of such hydroxamic acids, intermediates for the syntheses of such hydroxamic acids, methods for making such hydroxamic acids, and methods for treating conditions (particularly pathological conditions) associated with MMP activity and/or aggrecanase activity.
• [EN] PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS<br/>[FR] ACIDES HYDROXAMIQUES DE PIPERIDINYL- ET DE PIPERAZINYL-SULFONYLMETHYLE ET LEUR UTILISATION COMME INHIBITEURS DE PROTEASE
  申请人：PHARMACIA CORP

  公开号：WO2005042521A2

  公开（公告）日：2005-05-12

  This invention is directed generally to proteinase (also known as “protease”) inhibitors, and, more particularly, to piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids that, inter alia, inhibit matrix metalloproteinase (also known as “matrix metalloprotease” or “MMP”) activity and/or aggrecanase activity. Such hydroxamic acids generally correspond in structure to formula (I); (wherein A1, A2, Y, E1, E2, E3, and Rx are as defined in this specification), and further include salts of such compounds. This invention also is directed to compositions of such hydroxamic acids, intermediates for the syntheses of such hydroxamic acids, methods for making such hydroxamic acids, and methods for treating conditions (particularly pathological conditions) associated with MMP activity and/or aggrecanase activity.