4-(3-iso-butyl-2-oxo-4-{[3-fluoro-4-(3-{3-methoxypyrid-2-yl}-ureido)-phenyl]-acetyl}-piperazin-1-yl)-butyric acid | 253347-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 4-(3-iso-butyl-2-oxo-4-{[3-fluoro-4-(3-{3-methoxypyrid-2-yl}-ureido)-phenyl]-acetyl}-piperazin-1-yl)-butyric acid
• 英文别名: 4-[4-[2-[3-Fluoro-4-[(3-methoxypyridin-2-yl)carbamoylamino]phenyl]acetyl]-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoic acid
• CAS: 253347-85-2
• 化学式: C₂₇H₃₄FN₅O₆
• 分子量: 543.595
• InChiKey: OBDWPMSWGSOCRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES
  申请人：Pfizer Products Inc.

  公开号：EP1091943A1

  公开（公告）日：2001-04-18
• US6355662B1
  申请人：——

  公开号：US6355662B1

  公开（公告）日：2002-03-12
• US6306887B1
  申请人：——

  公开号：US6306887B1

  公开（公告）日：2001-10-23
• [EN] NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES<br/>[FR] INHIBITEURS NON PEPTIDYLE DE LA LIAISON CELLULAIRE DEPENDANT DE VLA-4 UTILES DANS LE TRAITEMENT DES MALADIES INFLAMMATOIRES, AUTO-IMMUNES ET RESPIRATOIRES
  申请人：PFIZER PROD INC

  公开号：WO2000000477A1

  公开（公告）日：2000-01-06

  Compounds of Formula (1.0.0) are described, wherein A is for example aryl, heteroaryl or heterocyclyl, Y is preferably -C(=O)-; B is independently selected from a group of moieties, the most preferred of which are those of partial Formulas (1.1.2) and (1.1.6), and E is a single bond; oxygen; 1,1-cyclopropyl; C(CH3)2; CF2; or a bridging moiety of partial Formula (1.9.0), where R1a is hydrogen when R1 has the meaning of a mono-valent substituent; and R1a is a single bond when R1 has the meaning of a di-valent substituent. Said compounds are useful in methods of treating or preventing an inflammatory, autoimmune or respiratory disease by inhibiting cell adhesion and consequent or associated pathogenic processes subsequently mediated by VLA-4.