(S)-3-((S)-2-(4,4-Dimethyl-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-3-cyclopropylpropylamino)-3-phenylpropanol Hydrochloride | 496968-99-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-3-((S)-2-(4,4-Dimethyl-3-(4-(3-(2-methylphenyl)ureido)-3-methoxybenzyl)-2,5-dioxoimidazolidin-1-yl)-3-cyclopropylpropylamino)-3-phenylpropanol Hydrochloride
• 英文别名: 1-[4-[[3-[(2S)-1-cyclopropyl-3-[[(1S)-3-hydroxy-1-phenylpropyl]amino]propan-2-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-methoxyphenyl]-3-(2-methylphenyl)urea;hydrochloride
• CAS: 496968-99-1
• 化学式: C₃₆H₄₅N₅O₅*ClH
• 分子量: 664.245
• InChiKey: CXKSKWVOAHPFOL-OLODFECESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.49
• 重原子数：
  47
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  123
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• Novel imidazolidine derivatives, their preparation and their use
  申请人：——

  公开号：US20030109497A1

  公开（公告）日：2003-06-12

  The present invention relates to novel imidazolidine derivatives of the formula I, 1 in which B, E, W, Y, R, R 2 , R 3 , R 30 , e and h have the meanings given herein. The compounds of the formula I are valuable pharmaceutically active compounds which are suitable, for example, for treating inflammatory diseases, 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.

  本发明涉及公式I的新型咪唑啉衍生物，其中B、E、W、Y、R、R2、R3、R30、e和h的含义如本文所述。公式I的化合物是有价值的药物活性化合物，例如，适用于治疗炎症性疾病，例如类风湿性关节炎或过敏性疾病。公式I的化合物是白细胞的黏附和迁移的抑制剂和/或黏附受体VLA-4的拮抗剂，该受体属于整合素组。它们通常适用于治疗由白细胞黏附和/或白细胞迁移的不良程度引起或与之相关的疾病，或在其中基于VLA-4受体与其配体的相互作用的细胞-细胞或细胞-基质相互作用发挥作用。此外，本发明还涉及制备公式I的化合物的方法，它们的用途以及包括公式I的化合物的制药制剂。
• 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
• US6962937B2
  申请人：——

  公开号：US6962937B2

  公开（公告）日：2005-11-08
• [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).