N-{4-[(5-([(4R)-4-mercapto-2-oxopyrrolidin-1-yl]methyl)pyridin-2-yl)oxy]phenyl}methanesulfonamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-{4-[(5-([(4R)-4-mercapto-2-oxopyrrolidin-1-yl]methyl)pyridin-2-yl)oxy]phenyl}methanesulfonamide
• 英文别名: N-[4-[5-[[(4R)-2-oxo-4-sulfanylpyrrolidin-1-yl]methyl]pyridin-2-yl]oxyphenyl]methanesulfonamide
• 化学式: C₁₇H₁₉N₃O₄S₂
• 分子量: 393.488
• InChiKey: GMOIQXCHCWEXDA-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  98
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1500658A1

  公开（公告）日：2005-01-26

  The present invention provides a novel thiol derivative [I] which has an excellent matrix metalloprotease inhibiting activity and is useful as a pharmaceutical composition, particularly a therapeutic agent or prophylactic agent for osteoarthritis and rheumatoid arthritis and a salt thereof, the thiol derivative being a compound represented by the formula [I]:    wherein ring A represents an optionally substituted aromatic heterocyclic ring;    ring B represents an optionally substituted homocyclic or heterocyclic ring;    R1 represents a hydrogen atom, an optionally substituted hydrocarbon group, an acyl group, an optionally substituted heterocyclic group or SR2 (wherein R2 represents a hydrogen atom, an optionally substituted hydrocarbon group, an acyl group or an optionally substituted heterocyclic group);    X represents an optionally substituted divalent C1-3 aliphatic hydrocarbon group;    Y represents an optionally substituted hydrocarbon group, a halogen atom, a carboxy group, an acyl group, an optionally substituted hydroxy group, an optionally substituted amino group, SR3 (wherein R3 represents a hydrogen atom, an optionally substituted hydrocarbon group, an acyl group or an optionally substituted heterocyclic group), an oxo group, a thioxo group, an optionally substituted imino group, a nitro group or a cyano group; and    q represents an integer of 0 to 5.

  本发明提供了一种新型硫醇衍生物[I]，它具有优异的基质金属蛋白酶抑制活性，可用作药物组合物，特别是骨关节炎和类风湿性关节炎的治疗剂或预防剂及其盐，该硫醇衍生物是由式[I]代表的化合物： 其中环 A 代表任选取代的芳香杂环； 环 B 代表任选取代的同环或杂环； R1 代表氢原子、任选取代的烃基、酰基、任选取代的杂环基团或 SR2（其中 R2 代表氢原子、任选取代的烃基、酰基或任选取代的杂环基团）； X 代表任选取代的二价 C1-3 脂肪族烃基； Y 代表任选取代的烃基、卤素原子、羧基、酰基、任选取代的羟基、任选取代的氨基、SR3（其中 R3 代表氢原子、任选取代的烃基、酰基或任选取代的杂环基）、氧代基团、硫代基团、任选取代的亚氨基、硝基或氰基；以及 q 代表 0 至 5 的整数。
• Novel thiol derivative, process for producing the same and use thereof
  申请人：Kajino Masahiro

  公开号：US20050165064A1

  公开（公告）日：2005-07-28

  The present invention provides a novel thiol derivative [I] which has an excellent matrix metalloprotease inhibiting activity and is useful as a pharmaceutical composition, particularly a therapeutic agent or prophylactic agent for osteoarthritis and rheumatoid arthritis and a salt thereof, the thiol derivative being a compound represented by the formula [I]: wherein ring A represents an optionally substituted aromatic heterocyclic ring; ring B represents an optionally substituted homocyclic or heterocyclic ring; R 1 represents a hydrogen atom, an optionally substituted hydrocarbon group, an acyl group, an optionally substituted heterocyclic group or SR 2 (wherein R 2 represents a hydrogen atom, an optionally substituted hydrocarbon group, an acyl group or an optionally substituted heterocyclic group); X represents an optionally substituted divalent C 1-3 aliphatic hydrocarbon group; Y represents an optionally substituted hydrocarbon group, a halogen atom, a carboxy group, an acyl group, an optionally substituted hydroxy group, an optionally substituted amino group, SR 3 (wherein R 3 represents a hydrogen atom, an optionally substituted hydrocarbon group, an acyl group or an optionally substituted heterocyclic group), an oxo group, a thioxo group, an optionally substituted imino group, a nitro group or a cyano group; and q represents an integer of 0 to 5.

  本发明提供了一种新型硫醇衍生物[I]，它具有优异的基质金属蛋白酶抑制活性，可用作药物组合物，特别是骨关节炎和类风湿性关节炎的治疗剂或预防剂及其盐，该硫醇衍生物是由式[I]表示的化合物： 其中环 A 代表任选取代的芳香杂环；环 B 代表任选取代的同环或杂环； R 1 代表氢原子、任选取代的烃基、酰基、任选取代的杂环基团或 SR 2 (其中 R 2 代表氢原子、任选取代的烃基、酰基或任选取代的杂环基）； X 代表任选取代的二价 C 1-3 脂族烃基； Y 代表任选取代的烃基、卤素原子、羧基、酰基、任选取代的羟基、任选取代的氨基、 SR 3 (其中 R 3 代表氢原子、任选取代的烃基、酰基或任选取代的杂环基）、氧代基团、硫代基团、任选取代的亚氨基基团、硝基或氰基；以及 q 代表 0 至 5 的整数。