(2S)-2-Amino-3-(6-(4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)-piperidin-1-yl)-purin-9-yl)-propionic acid tert-butyl ester | 315212-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (2S)-2-Amino-3-(6-(4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)-piperidin-1-yl)-purin-9-yl)-propionic acid tert-butyl ester
• 英文别名: tert-butyl (2S)-2-amino-3-[6-[4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidin-1-yl]purin-9-yl]propanoate
• CAS: 315212-32-9
• 化学式: C₂₂H₃₃N₉O₃
• 分子量: 471.563
• InChiKey: KYESZCNWRRSGMS-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  153
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (2S)-2-Benzyloxycarbonylamino-3-(6-(4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)-piperidin-1-yl)-purin-9-yl)-propionic acid tert-butyl ester 在 palladium/charcoal 作用下， 以 溶剂黄146 为溶剂， 生成 (2S)-2-Amino-3-(6-(4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)-piperidin-1-yl)-purin-9-yl)-propionic acid tert-butyl ester
  参考文献：
  名称：

  Substituted purine derivatives as inhibitors of cell adhesion

  摘要：

  本发明涉及公式I的化合物，其中B、D、E、G、X、Y、Z、R1、R2和s具有所述声明中指示的含义，它们的生理耐受性盐和它们的前药。公式I的化合物是有价值的药理活性化合物。它们是vitronectin受体拮抗剂和细胞黏附的抑制剂，适用于治疗和预防基于细胞-细胞或细胞-基质相互作用过程中vitronectin受体和其配体之间相互作用的疾病，或者可以通过影响这种相互作用来预防、缓解或治愈这些疾病。例如，它们可以用于通过抑制成骨细胞的骨吸收来治疗和预防骨质疏松症，或者用于抑制不良血管新生或血管平滑肌细胞增殖。本发明还涉及公式I化合物的制备方法，它们的使用，特别是作为药物的活性成分以及包含它们的药物组合物。

  公开号：

  EP1065208A1

文献信息

• SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1196416B1

  公开（公告）日：2004-03-24
• US6747016B1
  申请人：——

  公开号：US6747016B1

  公开（公告）日：2004-06-08
• [EN] SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION<br/>[FR] DERIVES DE PURINE A SUBSTITUTION EN TANT QU'INHIBITEURS DE L'ADHESION CELLULAIRE
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2001002399A1

  公开（公告）日：2001-01-11

  The present invention relates to compounds of formula (I), in which B, D, E, G, X, Y, Z, R1, R2 and s have the meanings indicated in the claims, their physiologically tolerable salts and their prodrugs. The compounds of formula (I) are valuable pharmacologically active compounds. They are vitronectin receptor antagonists and inhibitors of cell adhesion and are suitable for the therapy and prophylaxis of illnesses which are based on the interaction between vitronectin receptors and their ligands in cell-cell or cell-matrix interaction processes or which can be prevented, alleviated or cured by influencing such interactions. For example, they can be applied for inhibiting bone resorption by osteoclasts and thus for treating and preventing osteoporosis, or for inhibiting undesired angiogenesis or proliferation of cells of the vascular smooth musculature. The invention furthermore relates to processes for the preparation of compounds of formula (I), their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical compositions comprising them.