(2S)-3-(6-(4-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl)-piperidin-1-yl)-purin-9-yl)-2-(4-trifluoromethylbenzenesulfonylamino)-propionic acid

• 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)-3-(6-(4-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl)-piperidin-1-yl)-purin-9-yl)-2-(4-trifluoromethylbenzenesulfonylamino)-propionic acid
• 英文别名: (2S)-3-[6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]purin-9-yl]-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
• 化学式: C₂₈H₂₉F₃N₈O₄S
• 分子量: 630.651
• InChiKey: AUUVWTLPURZGRC-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  164
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (2S)-2-Amino-3-(6-(4-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-piperidin-1-yl)-purin-9-yl)-propionic acid tert-butyl ester 、 4-三氟甲基苯磺酰氯 生成 (2S)-3-(6-(4-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl)-piperidin-1-yl)-purin-9-yl)-2-(4-trifluoromethylbenzenesulfonylamino)-propionic acid
  参考文献：
  名称：

  Naphthyridine derivatives, processes for their preparation, their use, and pharmaceutical compositions comprising them

  摘要：

  本发明涉及公式I的化合物， 其中B、G、Z、X、Y、r、s和t具有索引中指示的含义，它们的生理耐受盐和前药。公式I的化合物是有价值的药理活性化合物。它们是维脱蛋白受体拮抗剂和细胞粘附抑制剂，适用于基于维脱蛋白受体与其配体在细胞-细胞或细胞-基质相互作用过程中的相互作用而导致的疾病的治疗和预防，或者可以通过影响这种相互作用来预防、缓解或治愈。例如，它们可用于通过抑制破骨细胞来抑制骨吸收，从而治疗和预防骨质疏松症，或者用于抑制不良血管生成或血管平滑肌细胞增殖。此外，本发明还涉及公式I化合物的制备方法，它们的用途，特别是作为药物中的活性成分，以及包含它们的药物组合物。

  公开号：

  EP1065207A1

文献信息

• Naphthyridine derivatives, processes for their preparation, their use and pharmaceutical compositions comprising them
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040198718A1

  公开（公告）日：2004-10-07

  Naphthyridine compounds of the formula 1 wherein the substituents are defined as in the specification which are vitronectin receptor antagonists and inhibitors of cell adhesion useful for treatment of illnesses based on the interaction between vitronectin receptors and their ligands in cell-cell or cell-materix interaction processes. The compounds are particularly useful for inhibiting bone resorption by osteoclasts and are useful for treating osteoporosis.

  化学式为1的萘啉化合物，其中取代基如规范中所定义，是维特隆连接受体拮抗剂和细胞粘附抑制剂，用于治疗基于细胞-细胞或细胞-基质相互作用过程中维特隆连接受体和其配体相互作用的疾病。这些化合物特别适用于抑制骨吸收细胞破骨细胞并用于治疗骨质疏松症。
• NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1210348A1

  公开（公告）日：2002-06-05
• US6743800B1
  申请人：——

  公开号：US6743800B1

  公开（公告）日：2004-06-01
• [EN] NAPHTHYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM<br/>[FR] DERIVES DE NAPHTHYRIDINE, PROCEDE DE PREPARATION, UTILISATION ET COMPOSITIONS PHARMACEUTIQUES LES RENFERMANT
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2001002398A1

  公开（公告）日：2001-01-11

  The present invention relates to compounds of formula (I), in which B, G, Z, X, Y, r, s and t 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.