(R,S)-3-(((R,S)-4-(4-(Amino-imino-methyl)phenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetylamino)-3-phenylpropionic acid hydrochloride | 207731-24-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (R,S)-3-(((R,S)-4-(4-(Amino-imino-methyl)phenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetylamino)-3-phenylpropionic acid hydrochloride
• 英文别名: 3-[[2-[4-(4-Carbamimidoylphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanoic acid;hydrochloride
• CAS: 207731-24-6
• 化学式: C₂₃H₂₅N₅O₅*ClH
• 分子量: 487.943
• InChiKey: OFGHZNQRHNKCPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.83
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  157
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040220148A1

  公开（公告）日：2004-11-04

  Compounds of the formula I 1 in which B, D, E, R, W, Y, Z, b, c, d, e, f, g and h have the meanings indicated in the claims, are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 which belongs to the group of integrins. The invention relates to the use of compounds of the formula I and of pharmaceutical preparations which contain such compounds for the treatment and prophylaxis of diseases which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or which are associated therewith or in which cell-cell or cell-matrix interactions which are based on interactions of VLA-4 receptors with their ligands play a part, for example of inflammatory processes, of rheumatoid arthritis or of allergic disorders, and it also relates to the use of compounds of the formula I for the production of pharmaceuticals for use in such diseases. It further relates to novel compounds of the formula I.

  公式I中B、D、E、R、W、Y、Z、b、c、d、e、f、g和h具有索引中指示的含义，是白细胞粘附和迁移的抑制剂和/或属于整合素群的粘附受体VLA-4的拮抗剂。本发明涉及公式I化合物的使用以及含有这种化合物的药物制剂，用于治疗和预防由白细胞粘附和/或白细胞迁移的不良程度引起的疾病，或与之相关的疾病，或基于VLA-4受体与其配体相互作用的细胞-细胞或细胞-基质相互作用在其中起作用的炎症过程、类风湿关节炎或过敏性疾病等，还涉及公式I化合物用于生产用于治疗此类疾病的药物。此外，还涉及公式I的新化合物。
• US6191282B1
  申请人：——

  公开号：US6191282B1

  公开（公告）日：2001-02-20