Tert-butyl 4-(2-methoxy-2-oxoethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxylate | 362703-58-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Tert-butyl 4-(2-methoxy-2-oxoethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxylate
• CAS: 362703-58-0
• 化学式: C₃₁H₃₇N₃O₆
• 分子量: 547.651
• InChiKey: BUQYBKVGXGHIDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-(2-methoxy-2-oxoethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以92%的产率得到{4-[4-(2-Methyl-quinolin-4-ylmethoxy)-benzoylamino]-piperidin-4-yl}-acetic acid methyl ester
  参考文献：
  名称：

  Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha

  摘要：

  本申请描述了式I的新颖β-氨基酸衍生物：1或其药用可接受的盐或前药形式，其中A、X、Z、Ua、Xa、Ya、Za、R1、R2、R3、R4和R4a在本规范中有定义，这些衍生物可用作金属蛋白酶和/或TNF-α抑制剂。

  公开号：

  US20040072802A1
• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 N-甲基吗啉 、 氨 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 Tert-butyl 4-(2-methoxy-2-oxoethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis and structure–activity relationship of a novel, achiral series of TNF-α converting enzyme inhibitors

  摘要：

  A novel series of achiral TNF-alpha converting enzyme (TACE) inhibitors has been discovered. These compounds exhibited activities from 0.35 to 11 nM in a porcine TACE assay and inhibited TNF-alpha production in an LPS-stimulated whole blood assay with an IC50 value of 23 nM for the most potent one. They also have excellent selectivities over related metalloproteases including aggrecanases. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.015

文献信息

• Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme
  申请人：——

  公开号：US20040116491A1

  公开（公告）日：2004-06-17

  The present application describes novel hydantoin derivatives of formula (I): 1 or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, L, and R 11 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.

  本申请描述了式 (I) 的新型海因衍生物： 1 或其药学上可接受的盐或原药形式，其中 A、L 和 R 11 可用作基质金属蛋白酶 (MMP)、TNF-&agr; 转换酶 (TACE)、凝集素酶或其组合的抑制剂。
• EP1558581A4
  申请人：——

  公开号：EP1558581A4

  公开（公告）日：2007-07-25
• TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES
  申请人：Bristol-Myers Squibb Company

  公开号：EP1558581A2

  公开（公告）日：2005-08-03
• US7074810B2
  申请人：——

  公开号：US7074810B2

  公开（公告）日：2006-07-11
• [EN] TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME<br/>[FR] DERIVES DE LA TRIAZOLONE ET DE LA TRIAZOLETHIONE, INHIBITEURS DES METALLOPROTEINASES DE MATRICES ET/OU DE L'ENZYME DE CONVERSION DU TNF DOLLAR G(A)
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004032846A2

  公开（公告）日：2004-04-22

  The present application describes novel hydantoin derivatives of formula (I): or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, L, and R11 are defined in the present specification, which are useful as inhibitors of matrix metalloproteinases (MMP), TNF-a converting enzyme (TACE), aggrecanase, or a combination thereof.