tert-butyl 4-[2-(hydroxyamino)-2-oxoethyl]-4-({4-[(4-quinolinyloxy)methyl]benzoyl}amino)-1-piperidinecarboxylate trifluoroacetate | 362699-11-4

• 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: tert-butyl 4-[2-(hydroxyamino)-2-oxoethyl]-4-({4-[(4-quinolinyloxy)methyl]benzoyl}amino)-1-piperidinecarboxylate trifluoroacetate
• 英文别名: Tert-butyl 4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-(quinolin-4-yloxymethyl)benzoyl]amino]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
• CAS: 362699-11-4
• 化学式: C₂HF₃O₂*C₂₉H₃₄N₄O₆
• 分子量: 648.636
• InChiKey: WIRJNLVSPMITIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.84
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  167
• 氢给体数：
  4
• 氢受体数：
  12

文献信息

• Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha
  申请人：——

  公开号：US20020013341A1

  公开（公告）日：2002-01-31

  The present application describes novel &bgr;-amino acid derivatives of formula I: 1 or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, X, Z, U a , X a , Y a , Z a , R 1 , R 2 , R 3 , R 4 , and R 4a are defined in the present specification, which are useful as metalloprotease and/or as TNF-&agr; inhibitors.

  本申请描述了式I的新型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、U a 、X a 、Y a 、Z a 、R 1 、R 2 、R 3 、R 4 和R 4a 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。
• BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1263756A2

  公开（公告）日：2002-12-11
• US6495565B2
  申请人：——

  公开号：US6495565B2

  公开（公告）日：2002-12-17
• [EN] BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA<br/>[FR] DERIVES DE beta -AMINOACIDES EN TANT QU'INHIBITEURS DE METALLOPROTEASES MATRICIELLES ET DE TNF- alpha
  申请人：DU PONT PHARM CO

  公开号：WO2001070734A2

  公开（公告）日：2001-09-27

  The present application describes novel β-amino acid derivatives of formula (I) or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, X, Z, U?a, Xa, Ya, Za, R1, R2, R3, R4, and R4a¿ are defined in the present specification, which are useful as metalloprotease and as TNF-α inhibitors.