4-(2-methyl-quinolin-4-ylmethoxy)-N-[2,4,6-trioxo-5-(1-prop-2-ynyl-piperidin-4-yl)-hexahydro-pyrimidin-5-ylmethyl]-benzamide | 554451-67-1

• 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: 4-(2-methyl-quinolin-4-ylmethoxy)-N-[2,4,6-trioxo-5-(1-prop-2-ynyl-piperidin-4-yl)-hexahydro-pyrimidin-5-ylmethyl]-benzamide
• 英文别名: 4-[(2-methylquinolin-4-yl)methoxy]-N-[[2,4,6-trioxo-5-(1-prop-2-ynylpiperidin-4-yl)-1,3-diazinan-5-yl]methyl]benzamide
• CAS: 554451-67-1
• 化学式: C₃₁H₃₁N₅O₅
• 分子量: 553.618
• InChiKey: UKQGJSUDXPYTHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  41
• 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：
  130
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  、 4-[(2-Methyl-4-quinolinyl)methoxy]-N-{[2,4,6-trioxo-5-(4-piperidinyl)hexahydro-5-pyrimidinyl]methyl}benzamide bis(trifluoroacetate) 、 3-溴丙炔 以to provide the title compound (8.5 mg, 40%)的产率得到4-(2-methyl-quinolin-4-ylmethoxy)-N-[2,4,6-trioxo-5-(1-prop-2-ynyl-piperidin-4-yl)-hexahydro-pyrimidin-5-ylmethyl]-benzamide
  参考文献：
  名称：

  Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases

  摘要：

  本申请描述了新型的巴比妥酸衍生物I的公式：或其药学上可接受的盐或前药形式，其中A、B、L、R1、R2、R3、R4、R5、n、W、U、X、Y、Z、Ua、Xa、Ya和Za在本说明书中有定义，这些衍生物可用作TNF-α转化酶（TACE）和基质金属蛋白酶（MMP）抑制剂。

  公开号：

  US07294624B2

文献信息

• Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases
  申请人：——

  公开号：US20030229084A1

  公开（公告）日：2003-12-11

  The present application describes novel barbituric acid derivatives of formula I: 1 or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, B, L, R 1 , R 2 , R 3 , R 4 , R 5 , n, W, U, X, Y, Z, U a , X a , Y a , and Z a are defined in the present specification, which are useful as TNF-&agr; converting enzyme (TACE) and matrix metalloproteinases (MMP) inhibitors.

  本申请描述了式I的新型巴比妥酸衍生物： 1 或其药用可接受的盐或前药形式，其中A、B、L、R 1 、R 2 、R 3 、R 4 、R 5 、n、W、U、X、Y、Z、U a 、X a 、Y a 和Z a 在本规范中定义，这些衍生物可用作TNF-α转化酶（TACE）和基质金属蛋白酶（MMP）抑制剂。
• BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES
  申请人：Duan Jingwu

  公开号：US20070167451A1

  公开（公告）日：2007-07-19

  The present application describes novel barbituric acid derivatives of formula I: or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, B, L, R 1 , R 2 , R 3 , R 4 , R 5 , n, W, U, X, Y, Z, U a , X a , Y a , and Z a are defined in the present specification, which are useful as TNF-α converting enzyme (TACE) and matrix metalloproteinases (MMP) inhibitors.

  本申请描述了新型的巴比妥酸衍生物式I：或其药物可接受的盐或前药形式，其中A、B、L、R1、R2、R3、R4、R5、n、W、U、X、Y、Z、Ua、Xa、Ya和Za在本说明书中有定义，它们可用作TNF-α转化酶（TACE）和基质金属蛋白酶（MMP）抑制剂。
• US7294624B2
  申请人：——

  公开号：US7294624B2

  公开（公告）日：2007-11-13
• US7595317B2
  申请人：——

  公开号：US7595317B2

  公开（公告）日：2009-09-29
• [EN] BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES<br/>[FR] DERIVES DE L'ACIDE BARBITURIQUE UTILISES COMME INHIBITEURS DE L'ENZYME DE CONVERSION DU TNF-ALPHA (TACE) ET/OU DE METALLOPROTEASES MATRICIELLES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003053941A2

  公开（公告）日：2003-07-03

  The present application describes novel barbituric acid derivatives of formula (I) or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, B, L, R1, R2, R3, R4, R5, n, W, U, X, Y, Z, Ua, Xa, Ya, and Za are defined in the present specification, which are useful as TNF-a converting enzyme (TACE) and matrix metalloproteinases (MMP) inhibitors.