N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbonyl}-O-{2-[6-(methylamino)pyridin-2-yl]ethyl}-L-tyrosine | 1043420-46-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbonyl}-O-{2-[6-(methylamino)pyridin-2-yl]ethyl}-L-tyrosine
• 英文别名: (2S)-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-3-[4-[2-[6-(methylamino)pyridin-2-yl]ethoxy]phenyl]propanoic acid
• CAS: 1043420-46-7
• 化学式: C₂₄H₂₂ClF₃N₄O₄
• 分子量: 522.911
• InChiKey: VDPQIDXTQXAJHB-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS
  申请人：Arnould Jean-Claude

  公开号：US20090062267A1

  公开（公告）日：2009-03-05

  The present invention relates to compounds that inhibit a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm-blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5b1, and also that exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及抑制a5b1功能的化合物，其制备方法，含有其作为活性成分的药物组合物，以及它们作为药物用于治疗具有重要血管生成或血管成分的疾病，例如固体肿瘤的治疗，用于制造药物。本发明还涉及抑制a5b1的化合物，并且还表现出适当的选择性谱以对抗其他整合素。