2-(4-benzyl-2-{4-[(2-methyl-4-quinolinyl)methoxy]phenyl)-1,1-dioxido-2-thiomorpholinyl)-N-hydroxyacetamide | 511310-77-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(4-benzyl-2-{4-[(2-methyl-4-quinolinyl)methoxy]phenyl)-1,1-dioxido-2-thiomorpholinyl)-N-hydroxyacetamide
• 英文别名: 2-[4-benzyl-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-1,4-thiazinan-2-yl]-N-hydroxyacetamide
• CAS: 511310-77-3
• 化学式: C₃₀H₃₁N₃O₅S
• 分子量: 545.659
• InChiKey: JKDLGUNKTHIROW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Cyclic sulfone derivatives as inhibitors of matrix metalloproteinases and/or TNF-Alpha converting enzyme (TACE)
  申请人：——

  公开号：US20030149031A1

  公开（公告）日：2003-08-07

  The present application describes novel cyclic sulfone derivatives of formula I: 1 or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, B, X, U a , X a , Y a , Z a , R 1 , R 2 , R b , and q are defined in the present specification, which are useful as inhibitors of matrix metalloproteinases (MMP), TNF-&agr; converting enzyme (TACE), aggrecanase, or a combination thereof.

  本申请描述了公式I的新型环状磺酮衍生物：1或其药学上可接受的盐或前药形式，其中A，B，X，Ua，Xa，Ya，Za，R1，R2，Rb和q在本说明书中有定义，它们可用作基质金属蛋白酶（MMP），TNF-α转化酶（TACE），聚集素酶或其组合物的抑制剂。
• US7015217B2
  申请人：——

  公开号：US7015217B2

  公开（公告）日：2006-03-21
• [EN] CYCLIC SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF- DOLLAR G(A) CONVERTING ENZYME (TACE)<br/>[FR] DERIVES DE SULFONE CYCLIQUES UTILISES COMME INHIBITEURS DE METALLOPROTEINASES MATRICIELLES ET/OU D'ENZYME DE CONVERSION DU TNF- DOLLAR G(A) (TACE)
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003031431A1

  公开（公告）日：2003-04-17

  The present formula application describes novel cyclic sulfone derivatives of formula I: or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, B, X, U?a, Xa, Ya, Za, R1, R2, Rb¿ and q are defined in the present specification, which are useful as inhibitors of matrix metalloproteinases (MMP), TNF-α converting enzyme (TACE), aggrecanase, or a combination thereof.