tert-Butyl (S)-3-((S)-2-(4,4-dimethyl-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-3-cyclopropylpropylamino)-3-(3,4-dimethoxyphenyl)propionate | 496969-18-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-Butyl (S)-3-((S)-2-(4,4-dimethyl-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-3-cyclopropylpropylamino)-3-(3,4-dimethoxyphenyl)propionate
• 英文别名: tert-butyl (3S)-3-[[(2S)-3-cyclopropyl-2-[3-[[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
• CAS: 496969-18-7
• 化学式: C₄₂H₅₅N₅O₈
• 分子量: 757.927
• InChiKey: RLQUUBXSXFPEIJ-DITALETJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  55
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  148
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：EP1414444B1

  公开（公告）日：2008-04-09
• [EN] NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS<br/>[FR] NOUVEAUX DERIVES D'IMIDAZOLIDINE, LEUR PREPARATION ET LEUR UTILISATION EN TANT QU'ANTAGONISTES VLA-4
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2003011288A1

  公开（公告）日：2003-02-13

  The present invention relates to novel imidazolidine derivatives of the formula (I), in which B, E, W, Y, R, R?2, R3, R30¿, e and h have the meanings given in the claims. The compounds of the formula (I) are valuable pharmaceutical active compounds which are suitable, for example, for treating inflammatory disease, for example rheumatoid arthritis, or allergic diseases. The compounds of the formula (I) are inhibitors of the adhesion and migration of leukocytes and/or antagonists of the adhesion receptor VLA-4, which belongs to the integrin group. They are generally suitable for treating diseases which are caused by, or associated with, an undesirable degree of leukocyte adhesion and/or leukocyte migration or in which cell-cell or cell-matrix interactions, which are based on the interactions of VLA-4 receptors with their ligands, play a role. The invention furthermore relates to processes for preparing the compounds of the formula (I), to their use and to pharmaceutical preparations which comprise compounds of the formula (I).