(3S)-3-[(Cyclopropanecarbonyl-amino)-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester | 869860-43-5

• 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: (3S)-3-[(Cyclopropanecarbonyl-amino)-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
• 英文别名: (3S)-[(cyclopropanecarbonyl-amino)-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester；tert-butyl (3S)-3-[(cyclopropanecarbonylamino)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 869860-43-5
• 化学式: C₁₉H₂₆N₂O₃
• 分子量: 330.427
• InChiKey: RHAKOOMOJZCDLW-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3S)-3-[(Cyclopropanecarbonyl-amino)-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 (3S)-cyclopropanecarboxylic acid (1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl)-amide, trifluoroacetate salt
  参考文献：
  名称：

  1-¬(3R)-Amino-4-(2-fluoro-phenyl)-butyl|-pyrrolidine-(2R)-carboxylic acid benzyl amine derivatives and related compounds as dipeptidyl peptidase IV (DPP-IV) inhibitors for the treatment of type 2 diabetes mellitus

  摘要：

  该发明涉及式（I）的化合物，其中R1-9、Z、n、X、A和Rb的含义如描述和权利要求中所述。所述化合物可用作DPP-IV抑制剂。该发明还涉及制备这类化合物以及将其作为药物用于治疗2型糖尿病、肥胖和脂质紊乱。

  公开号：

  EP1604662A8
• 作为产物：
  描述：

  (S)-3-胺甲基-2-BOC-3,4-二氢-1H-异喹啉 、 环丙甲酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (3S)-3-[(Cyclopropanecarbonyl-amino)-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Dpp-IV Inhibitors

  摘要：

  该发明涉及式(I)的化合物，其中R1-9、Z、n、X、A和Rb的含义如描述和权利要求中所述。所述化合物可用作DPP-IV抑制剂。该发明还涉及制备这种化合物以及将其作为药物用于治疗2型糖尿病、肥胖和脂质紊乱的生产和使用。

  公开号：

  US20080176838A1

文献信息

• 1-¬(3R)-Amino-4-(2-fluoro-phenyl)-butyl|-pyrrolidine-(2R)-carboxylic acid benzyl amine derivatives and related compounds as dipeptidyl peptidase IV (DPP-IV) inhibitors for the treatment of type 2 diabetes mellitus
  申请人：Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft

  公开号：EP1604662A8

  公开（公告）日：2006-04-12

  The invention relates to compounds of formula (I) wherein R1-9, Z, n, X, A, and Rb have the meaning as cited in the description and the claims. Said compounds are useful as DPP-IV inhibitors. The invention also relates to the preparation of such compounds as well as the production and use thereof as medicament for the treatment of type 2 diabetes mellitus, obesity and lipid disorders.

  该发明涉及式（I）的化合物，其中R1-9、Z、n、X、A和Rb的含义如描述和权利要求中所述。所述化合物可用作DPP-IV抑制剂。该发明还涉及制备这类化合物以及将其作为药物用于治疗2型糖尿病、肥胖和脂质紊乱。
• [EN] DPP-IV INHIBITORS<br/>[FR] INHIBITEURS DPP-IV
  申请人：SANTHERA PHARMACEUTICALS DEUTS

  公开号：WO2005113510A1

  公开（公告）日：2005-12-01

  The invention relates to compounds of formula (I), wherein Z, R1-8, n, A1, X1 and X2 have the meaning as cited in the description and the claims. Said compounds are useful as DPP-IV inhibitors. The invention also relates to the preparation of such compounds as well as the production and use thereof as medicament.
• Dpp-IV Inhibitors
  申请人：Edwards Paul John

  公开号：US20080176838A1

  公开（公告）日：2008-07-24

  The invention relates to compounds of formula (I) wherein R 1-9 , Z, n, X, A, and R b have the meaning as cited in the description and the claims. Said compounds are useful as DPP-IV inhibitors. The invention also relates to the preparation of such compounds as well as the production and use thereof as medicament for the treatment of type 2 diabetes mellitus, obesity and lipid disorders.

  该发明涉及式(I)的化合物，其中R1-9、Z、n、X、A和Rb的含义如描述和权利要求中所述。所述化合物可用作DPP-IV抑制剂。该发明还涉及制备这种化合物以及将其作为药物用于治疗2型糖尿病、肥胖和脂质紊乱的生产和使用。
• DPP-IV inhibitors
  申请人：Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft

  公开号：EP1598341A8

  公开（公告）日：2006-03-01

  The invention relates to compounds of formula (I) wherein Z, R1-8, n, A1, X1 and X2 have the meaning as cited in the description and the claims. Said compounds are useful as DPP-IV inhibitors. The invention also relates to the preparation of such compounds as well as the production and use thereof as medicament.

  该发明涉及具有如下式（I）的化合物，其中Z、R1-8、n、A1、X1和X2的含义如描述和权利要求中所述。所述化合物可用作DPP-IV抑制剂。该发明还涉及制备此类化合物以及其作为药物的生产和使用。