4,4-siprocyclobutyl-1,2,3,4-tetrahydro-isoquinoline | 850875-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 4,4-siprocyclobutyl-1,2,3,4-tetrahydro-isoquinoline
• 英文别名: 2',3'-dihydro-1'H-spiro[cyclobutane-1,4'-isoquinoline]；spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
• CAS: 850875-62-6
• 化学式: C₁₂H₁₅N
• mdl: MFCD16294407
• 分子量: 173.258
• InChiKey: SGMNNJVCACUQMU-UHFFFAOYSA-N

物化性质

• 沸点：
  291.7±9.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933499090

反应信息

• 作为产物：
  描述：

  (1-Phenyl-cyclobutylmethyl)-carbamic acid methyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 生成 4,4-siprocyclobutyl-1,2,3,4-tetrahydro-isoquinoline
  参考文献：
  名称：

  [EN] MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION
  [FR] ACYLSULFONAMIDES ET ACIDES CARBOXYLIQUES MACROCYCLIQUES UTILISES EN TANT QU'INHIBITEURS DE LA REPLICATION DU VIRUS DE L'HEPATITE C

  摘要：

  公开号：

  WO2005037214A3

文献信息

• MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION
  申请人：BLATT LAWRENCE M.

  公开号：US20090286843A1

  公开（公告）日：2009-11-19

  The embodiments provide compounds of the general formulas I-XIX, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating flaviviral infection, including hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  该实施例提供了一般式I-XIX的化合物，以及包括药物组合物在内的组合物。该实施例还提供了治疗方法，包括治疗黄热病毒感染的方法，包括丙型肝炎病毒感染的方法和治疗肝纤维化的方法，通常涉及向需要治疗的个体施用所述化合物或组合物的有效量。
• Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication
  申请人：F. Hoffmann-La Roche Ltd.

  公开号：EP2407470A2

  公开（公告）日：2012-01-18

  The present invention provides compounds of the general formulas I-IX, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The present invention further provides treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  本发明提供了通式I-IX的化合物，以及包含主题化合物的组合物，包括药物组合物。本发明进一步提供了治疗方法，包括治疗丙型肝炎病毒感染的方法和治疗肝纤维化的方法，这些方法一般涉及向有需要的个体施用有效量的主题化合物或组合物。
• Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication
  申请人：F. Hoffmann-La Roche Ltd.

  公开号：EP1680137B1

  公开（公告）日：2012-11-21
• US7491794B2
  申请人：——

  公开号：US7491794B2

  公开（公告）日：2009-02-17
• [EN] MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION<br/>[FR] COMPOSES MACROCYCLIQUES INHIBITEURS DE REPLICATION VIRALE
  申请人：INTERMUNE INC

  公开号：WO2005095403A2

  公开（公告）日：2005-10-13

  The embodiments provide macrocylic compounds, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating flaviviral infection, including hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.