N-{3-(4-methyl-2,5-dioxo-imidazolidin-4-yl)-5-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-4,5-dihydro-isoxazol-5-ylmethyl}-methanesulfonamide trifluoroacetate | 809238-72-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: N-{3-(4-methyl-2,5-dioxo-imidazolidin-4-yl)-5-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-4,5-dihydro-isoxazol-5-ylmethyl}-methanesulfonamide trifluoroacetate
• 英文别名: N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
• CAS: 809238-72-0
• 化学式: C₂HF₃O₂*C₂₆H₂₇N₅O₆S
• 分子量: 651.62
• InChiKey: AQGPQNBORMYAIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  194
• 氢给体数：
  4
• 氢受体数：
  14

文献信息

• Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE)
  申请人：——

  公开号：US20040254231A1

  公开（公告）日：2004-12-16

  The present invention provides compounds of Formula (I): 1 or a stereoisomer or pharmaceutically acceptable salt form thereof, wherein the variables L, Z 0 , R 1 , R 4 , R 5 , and R 11 are defined are as defined herein, which are useful as inhibitors of matrix metalloproteinases (MMP), TNF-&agr; converting enzyme (TACE), aggrecanase, or a combination thereof.

  本发明提供了式（I）的化合物：1或其立体异构体或其药用上可接受的盐形式，其中定义的变量L、Z0、R1、R4、R5和R11如本文中所定义，这些化合物可用作基质金属蛋白酶（MMP）、TNF-α转化酶（TACE）、聚集素酶或其组合的抑制剂。
• HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE)
  申请人：Bristol-Myers Squibb Company

  公开号：EP1628974A2

  公开（公告）日：2006-03-01
• EP1628974A4
  申请人：——

  公开号：EP1628974A4

  公开（公告）日：2008-05-07
• US7132432B2
  申请人：——

  公开号：US7132432B2

  公开（公告）日：2006-11-07
• [EN] HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-alpha CONVERTING ENZYME (TACE)<br/>[FR] DERIVES D'HYDANTOINE EN TANT QU'INHIBITEURS DE L'ENZYME DE CONVERSION DU FACTEUR 20041216See references of EP 1628974A4
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004108086A2

  公开（公告）日：2004-12-16

  The present invention provides compounds of Formula (I): or a stereoisomer or pharmaceutically acceptable salt form thereof, wherein the variables L, Z0, R1, R4, R5, and R11 are defined are as defined herein, which are useful as inhibitors of matrix metalloproteinases (MMP), TNF-α converting enzyme (TACE), aggrecanase, or a combination thereof