(S)-4-[(R)-1-hydroxy-2-(3-isopropylbenzylamino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1*6,10*]docosa-1(21),6,8,10(22),17,19-hexaen-2-one | 900798-29-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (S)-4-[(R)-1-hydroxy-2-(3-isopropylbenzylamino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1*6,10*]docosa-1(21),6,8,10(22),17,19-hexaen-2-one
• 英文别名: (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one；(4S)-4-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.16,10]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
• CAS: 900798-29-0
• 化学式: C₃₄H₄₂N₂O₆
• 分子量: 574.717
• InChiKey: MKUSLLRHQBCOIB-JHOUSYSJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Macrocyclic Compounds Useful as Bace Inhibitors
  申请人：Betschart Claudia

  公开号：US20080132477A1

  公开（公告）日：2008-06-05

  The invention relates to novel macrocyclic compounds of the formula (I), in which all of the variables are as defined in the specification, the number of ring atoms included in the macrocyclic ring being 14, 15, 16 or 17, in free base form or in acid addition salt form, to their preparation, to their use as medicaments and to medicaments comprising them.

  本发明涉及具有公式(I)的新型大环化合物，其中所有变量如说明书中所定义，大环环中包含的环原子数为14、15、16或17，以自由碱形式或酸加成盐形式存在，以及它们的制备方法、作为药物的使用以及包含它们的药物。
• MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS
  申请人：Novartis AG

  公开号：EP1851208A1

  公开（公告）日：2007-11-07
• [EN] MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS<br/>[FR] COMPOSES MACROCYCLIQUES SERVANT D'INHIBITEURS DE BACE
  申请人：NOVARTIS AG

  公开号：WO2006074950A1

  公开（公告）日：2006-07-20

  [EN] The invention relates to novel macrocyclic compounds of the formula (I), in which all of the variables are as defined in the specification, the number of ring atoms included in the macrocyclic ring being 14, 15, 16 or 17, in free base form or in acid addition salt form, to their preparation, to their use as medicaments and to medicaments comprising them.
  [FR] L'invention concerne des composés macrocycliques de formule (I), dans laquelle toutes les variables sont telles que définies dans la spécification, le nombre d'atomes cycliques inclus dans l'anneau macrocyclique étant de 14, 15, 16 ou 17, sous forme de base libre ou de sel d'addition acide. La présente invention porte également sur leur préparation, sur leur utilisation en tant que médicaments et sur des médicaments les contenant.