tert-butyl (S)-3-amino-2-(1-adamantylmethyloxycarbonylamino)propionate | 197358-55-7

• 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: tert-butyl (S)-3-amino-2-(1-adamantylmethyloxycarbonylamino)propionate
• 英文别名: tert-Butyl (2S)-(adamant-1-ylmethoxycarbonylamino)-3-aminopropionate；tert-butyl (2S)-2-(1-adamantylmethoxycarbonylamino)-3-aminopropanoate
• CAS: 197358-55-7
• 化学式: C₁₉H₃₂N₂O₄
• 分子量: 352.474
• InChiKey: IHYHNCMLRJLBEK-ZBUUCQELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  90.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(2-Methoxycarbonyl-vinyl)-thiophene-2-carboxylic acid 、 tert-butyl (S)-3-amino-2-(1-adamantylmethyloxycarbonylamino)propionate 在 3(5-(((2s)-2-(1-Adamantylmethoxycarbonylamino)-2-tert-butoxycarbonyl-ethyl)carbamoyl)-2-thienyl)-acrylic acid methyl ester 作用下， 以 ethyl acetate heptane 为溶剂， 生成 3(5-(((2s)-2-(1-Adamantylmethoxycarbonylamino)-2-tert-butoxycarbonyl-ethyl)carbamoyl)-2-thienyl)-acrylic acid methyl ester
  参考文献：
  名称：

  Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists

  摘要：

  该式化合物及其盐，其中取代基的定义符合规范，可用于治疗肿瘤生长、骨质疏松、炎症和心血管疾病。

  公开号：

  US06566366B1
• 作为产物：
  描述：

  tert-Butyl-(S)-2-(1-adamantylmethyloxycarbonylamino)-3-tert-butoxycarbonylaminopropionate 在 ice 、 二氯甲烷 、 Sodium sulfate-III 作用下， 以 trifluoracetic acid-dichloromethane 为溶剂， 以6.35 g (94%) of the title compound were obtained as a colorless solid的产率得到tert-butyl (S)-3-amino-2-(1-adamantylmethyloxycarbonylamino)propionate
  参考文献：
  名称：

  Heterocyclic compounds, their preparation and their use as leucocyte

  摘要：

  公式I的化合物，其中B，E，W，Y，Z，R，R.sup.2，R.sup.2a，R.sup.2b，R.sup.3，g和h具有说明书中所示的含义。公式I的化合物是有价值的药物活性化合物，适用于治疗和预防炎症性疾病，例如类风湿性关节炎或过敏性疾病。公式I的化合物是白细胞粘附和迁移的抑制剂和/或属于整合素组中的粘附受体VLA-4的拮抗剂。它们通常适用于治疗或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，或者在其中基于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，它们在所述疾病状态的治疗和预防中的使用以及含有公式I的化合物的制药制剂。

  公开号：

  US06034238A1

文献信息

• 2,4-Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US06423712B1

  公开（公告）日：2002-07-23

  The present invention relates to imidazolidine compounds of the formula I, The compounds of the formula I are valuable pharmaceutical active compounds, which are suitable, for example, for the therapy and prophylaxis of inflammatory disorders, for example of rheumatoid arthritis, or of allergic disorders. The compounds of the formula I are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 belonging to the integrins group. They are generally suitable for the therapy or prophylaxis of illnesses which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or 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. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use in the therapy and prophylaxis of the disease states mentioned and pharmaceutical preparations which contain compounds of the formula I.

  本发明涉及式I的咪唑啉化合物，式I的化合物是有价值的药用活性化合物，例如，适用于治疗和预防炎症性疾病，例如类风湿关节炎，或过敏性疾病。式I的化合物是白细胞粘附和迁移的抑制剂和/或整合素群中属于粘附受体VLA-4的拮抗剂。它们通常适用于治疗或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，或者在其中基于VLA-4受体与其配体相互作用的细胞-细胞或细胞-基质相互作用发挥作用。本发明还涉及制备式I化合物的方法，它们在治疗和预防上述疾病状态的使用以及含有式I化合物的制药制剂。
• Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors
  申请人：——

  公开号：US20010021708A1

  公开（公告）日：2001-09-13

  The present invention relates to 5-membered ring heterocycles of the formula I, 1 in which E, F, G, W, Y and Z have the meaning given in the patent claims, to their preparation and to their use as medicaments. The novel compounds are used as vitronectin receptor antagonists and as inhibitors of bone reabsorption.

  本发明涉及公式I中的5元环杂环，其中E、F、G、W、Y和Z具有专利要求中给出的含义，以及它们的制备和用作药物的方法。这些新化合物用作vitronectin受体拮抗剂和骨吸收抑制剂。
• Inhibitors or bone reabsorption and antagonists of vitronectin receptors
  申请人：Hoechst Aktiengesellschaft

  公开号：US06218415B1

  公开（公告）日：2001-04-17

  Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors The present invention relates to 5-membered ring heterocycles of the formula I, in which E, F, G, W, Y and Z have the meaning given in the patent claims, to their preparation and to their use as medicaments. The novel compounds are used as vitronectin receptor antagonists and as inhibitors of bone reabsorption.

  小说骨重吸收的新抑制剂和vitronectin受体拮抗剂 本发明涉及式I的5-成员环杂环，其中E，F，G，W，Y和Z具有专利要求中给出的含义，以及它们的制备和作为药物的用途。 这些新化合物用作vitronectin受体拮抗剂和骨重吸收的抑制剂。
• Heterocyclic compounds, their preparation and their use as leucocyte
  申请人：Hoechst Marion Roussel Deutschland GmbH

  公开号：US06034238A1

  公开（公告）日：2000-03-07

  Compounds of the formula I, ##STR1## in which B, E, W, Y, Z, R, R.sup.2, R.sup.2a, R.sup.2b, R.sup.3, g and h have the meanings indicated in the specifications. The compounds of the formula I are valuable pharmaceutical active compounds, which are suitable, for example, for the therapy and prophylaxis of inflammatory disorders, for example of rheumatoid arthritis, or of allergic disorders. The compounds of the formula I are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 belonging to the integrins group. They are generally suitable for the therapy or prophylaxis of illnesses which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or 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. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use in the therapy and prophylaxis of the disease states mentioned and pharmaceutical preparations which contain the compounds of the formula I.

  公式I的化合物，其中B，E，W，Y，Z，R，R.sup.2，R.sup.2a，R.sup.2b，R.sup.3，g和h具有说明书中所示的含义。公式I的化合物是有价值的药物活性化合物，适用于治疗和预防炎症性疾病，例如类风湿性关节炎或过敏性疾病。公式I的化合物是白细胞粘附和迁移的抑制剂和/或属于整合素组中的粘附受体VLA-4的拮抗剂。它们通常适用于治疗或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，或者在其中基于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，它们在所述疾病状态的治疗和预防中的使用以及含有公式I的化合物的制药制剂。
• Inhibitors of bone reabsorption and antagonists of vitronectin receptors
  申请人：Hoechst Aktiengesellschaft

  公开号：US06620820B2

  公开（公告）日：2003-09-16

  The present invention relates to 5-membered ring heterocycles of the formula I, in which E, F, G, W, Y and Z have the meaning given in the patent claims, to their preparation and to their use as medicaments. The novel compounds are used as vitronectin receptor antagonists and as inhibitors of bone reabsorption.

  本发明涉及公式I的5元环杂环，其中E、F、G、W、Y和Z具有专利要求中给定的含义，以及它们的制备和用作药物的用途。新化合物用作玻璃蛋白受体拮抗剂和骨吸收抑制剂。