3-mercapto-6-methyl-4-[(2-oxoazacyclotridec-3-yl)aminocarbonyl]heptanamide | 136815-86-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 3-mercapto-6-methyl-4-[(2-oxoazacyclotridec-3-yl)aminocarbonyl]heptanamide
• 英文别名: 2-(2-methylpropyl)-N-(2-oxo-azacyclotridec-3-yl)-3-sulfanylpentanediamide
• CAS: 136815-86-6
• 化学式: C₂₁H₃₉N₃O₃S
• 分子量: 413.625
• InChiKey: PTGZTTPKRIEKBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  102
• 氢给体数：
  4
• 氢受体数：
  4

文献信息

• N-(2-oxoazacycloalkyl) glutarylamide derivatives and their use as collagenase inhibitors
  申请人：Beecham Group p.l.c.

  公开号：EP0438223A1

  公开（公告）日：1991-07-24

  Novel compounds of formula (I), and pharmaceutically acceptable salts thereof; their preparation; compositions containing them; and their use in the treatment of conditions in which degradation of connective tissue and other proteinaceous components of the body occurs: in which, R₁ is -OH; alkoxy; aryloxy or aralkyloxy in each of which the aryl group is optionally substituted; -NR₆R₇, where each of R₆ and R₇ is independently hydrogen or alkyl, or R₆ and R₇ together with the nitrogen atom to which they are bonded form a 5-, 6- or 7-membered ring with an optional oxygen or sulphur atom or an optionally substituted second nitrogen atom in the ring; or a group: -NH-CH(R₈)-C(O)-R₉ where R₈ is hydrogen; alkyl optionally substituted by -OH, alkoxy, -NR₆R₇ as defined for R₁, guanidine, -CO₂H, -CONH₂, -SH, or -S-alkyl; or -CH₂-Ar where Ar is optionally substituted aryl or heteroaryl; and R₉ is alkoxy; -OH; or -NR₆R₇ as defined for R₁; R₂ is hydrogen; C₂₋₈ alkanoyl; or optionally substituted aroyl; R₃ is C₃₋₆ alkyl; and R₄ is -(CH₂)m- where m is an integer from 4 to 12.

  式 (I) 的新型化合物及其药学上可接受的盐；它们的制备方法；含有它们的组合物；以及它们在治疗结缔组织和身体其他蛋白质成分发生降解的病症中的用途： 其中，R₁ 是-OH；烷氧基；芳氧基或芳烷氧基，其中芳基任选被取代；-NR₆R₇，其中每个 R₆ 和 R₇ 独立为氢或烷基，或 R₆ 和 R₇ 与它们所键合的氮原子一起形成 5、6 或 7 元环，环中有任选的氧原子或硫原子或任选取代的第二个氮原子；或一个基团：-NH-CH（R₈）-C（O）-R₉ 其中 R₈ 是氢；任选被-OH、烷氧基、R₁ 所定义的-NR₆R₇、胍、-CO₂H、-CONH₂、-SH 或-S-烷基取代的烷基；或-CH₂-Ar，其中 Ar 是任选取代的芳基或杂芳基；且 R𠢙 是烷氧基；-OH；或如 R₁ 所定义的-NR₆R₇； R₂ 是氢；C₂₋₈ 烷酰基；或任选取代的芳基； R₃ 是 C₃₋₆烷基；和 R₄ 是-(CH₂)m-，其中 m 是 4 至 12 的整数。