(2S,3aS,7aS)-tert-butyl 2-carbamoyloctahydro-1H-indole-1-carboxylate | 115238-27-2

• 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: (2S,3aS,7aS)-tert-butyl 2-carbamoyloctahydro-1H-indole-1-carboxylate
• 英文别名: (2S,3aS,7aS)-2-carbamoyl-octahydro-indole-1-carboxylic acid 1-tert-butyl ester；tert-butyl (2S,3aS,7aS)-2-carbamoyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
• CAS: 115238-27-2
• 化学式: C₁₄H₂₄N₂O₃
• 分子量: 268.356
• InChiKey: LNGPAQLTTRQEPC-DCAQKATOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2S,3aS,7aS)-tert-butyl 2-carbamoyloctahydro-1H-indole-1-carboxylate 生成 (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
  参考文献：
  名称：

  VINCENT, M.;REMOND, G.;LEPAGNOL, J.

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl (2S,3aS,7aS)-N-tert-butoxycarbonyl-octahydro-1H-indole-2-carboxylate 在 sodium amide 作用下， 以 四氢呋喃 为溶剂， 以215 mg的产率得到(2S,3aS,7aS)-tert-butyl 2-carbamoyloctahydro-1H-indole-1-carboxylate
  参考文献：
  名称：

  新型全氢吲哚衍生物的合成及其在钌催化氢转移还原中的评价

  摘要：

  以良好的收率合成了新的全氢吲哚衍生物，并在 RuII 催化的苯乙酮氢化物转移还原中作为手性配体进行了评估。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

  DOI：

  10.1002/ejoc.200700476

文献信息

• [EN] [B]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS<br/>[FR] DERIVES BICYCLIQUES [B]-FUSIONNES DE PROLINE ET LEUR UTILISATION POUR TRAITER DES ETATS ARTHRITIQUES
  申请人：WARNER LAMBERT CO

  公开号：WO2004092132A1

  公开（公告）日：2004-10-28

  The invention relates to a compound which is [b]-fused bicyclic proline derivative, or a pharmaceutically acceptable salt thereof; a pharmaceutical composition comprising the compound or the salt thereof, and methods of treating diseases, including, but not limited to, methods of preventing or inhibiting joint cartilage damage and preventing or treating diseases characterized by joint cartilage damage, joint inflammation, or joint pain. The [b]-fused bicyclic proline derivatives are compounds of Formula I as described above. Diseases characterized by joint cartilage damage or joint pain include, for example, osteoarthritis and rheumatoid arthritis. Rheumatoid arthritis is also characterized by joint inflammation. This invention also relates to methods of synthesizing and preparing the [b]-fused bicyclic proline derivatives, or a pharmaceutically acceptable salt thereof.

  该发明涉及一种[b]-融合双环脯氨酸衍生物，或其药用盐；包括该化合物或其盐的药物组合物；以及治疗疾病的方法，包括但不限于预防或抑制关节软骨损伤，预防或治疗以关节软骨损伤、关节炎或关节疼痛为特征的疾病的方法。[b]-融合双环脯氨酸衍生物是上述化合物的I式化合物。以关节软骨损伤或关节疼痛为特征的疾病包括骨关节炎和类风湿性关节炎。类风湿性关节炎也以关节炎为特征。该发明还涉及合成和制备[b]-融合双环脯氨酸衍生物或其药用盐的方法。
• [B]-fused bicyclic proline derivatives and their use for treating arthritic conditions
  申请人：Barvian C. Nicole

  公开号：US20050143427A1

  公开（公告）日：2005-06-30

  This invention relates to a compound which is [b]-fused bicyclic proline derivative, or a pharmaceutically acceptable salt thereof; a pharmaceutical composition comprising the compound or the salt thereof, and methods of treating diseases, including, but not limited to, methods of preventing or inhibiting joint cartilage damage and preventing or treating diseases characterized by joint cartilage damage, joint inflammation, or joint pain. The [b]-fused bicyclic proline derivatives are compounds of Formula I as described above. Diseases characterized by joint cartilage damage or joint pain include, for example, osteoarthritis and rheumatoid arthritis. Rheumatoid arthritis is also characterized by joint inflammation. This invention also relates to methods of synthesizing and preparing the [b]-fused bicyclic proline derivatives, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种[b]-融合的双环脯氨酸衍生物，或其药学上可接受的盐；包括该化合物或其盐的制药组合物，以及治疗疾病的方法，包括但不限于预防或抑制关节软骨损伤和预防或治疗以关节软骨损伤、关节炎或关节疼痛为特征的疾病的方法。[b]-融合的双环脯氨酸衍生物是如上所述的式I的化合物。以关节软骨损伤或关节疼痛为特征的疾病包括骨关节炎和类风湿性关节炎等。类风湿性关节炎也以关节炎为特征。本发明还涉及合成和制备[b]-融合的双环脯氨酸衍生物或其药学上可接受的盐的方法。
• [EN] 1,4(1,4)-DIPHENYLHEXACYCLOPHANE-12,43-DIYL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF<br/>[FR] DÉRIVÉ 1,4(1,4)-DIPHÉNYLHEXACYCLOPHANE-12,43-DIYLE, PROCÉDÉ DE PRÉPARATION ET APPLICATION DE CELUI-CI<br/>[ZH] 1,4(1,4)-二苯杂环六蕃-12,43-二基衍生物及其制备方法与应用
  申请人：JIANGSU HANSOH PHARMACEUTICAL GROUP CO LTD

  公开号：WO2017076187A1

  公开（公告）日：2017-05-11

  提供一种1,4(1,4)-二苯杂环六蕃-12,43-二基衍生物及其制备方法与应用。该系列化合物可以抑制HCV的活性，可应用于治疗丙型肝炎病毒（HCV）感染相关疾病药物的开发，具有广阔的应用前景。见式（I）。
• VINCENT, M.;REMOND, G.;LEPAGNOL, J.
  作者：VINCENT, M.、REMOND, G.、LEPAGNOL, J.

  DOI：——

  日期：——
• Synthesis of New Perhydroindole Derivatives and Their Evaluation in Ruthenium-Catalyzed Hydrogen Transfer Reduction
  作者：Benoît Liégault、Xiaoping Tang、Christian Bruneau、Jean-Luc Renaud

  DOI：10.1002/ejoc.200700476

  日期：2008.2

  New perhydroindole derivatives were synthesized with good yields and evaluated as chiral ligands in the RuII-catalyzed hydride transfer reduction of acetophenone. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

  以良好的收率合成了新的全氢吲哚衍生物，并在 RuII 催化的苯乙酮氢化物转移还原中作为手性配体进行了评估。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)