3-[(2S)-2-benzylcarbamoyl-pyrrolidin-1-yl]-[(1R)-(2-fluoro-benzyl)-propyl]-carbamic acid tert-butyl ester | 871130-57-3

• 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: 3-[(2S)-2-benzylcarbamoyl-pyrrolidin-1-yl]-[(1R)-(2-fluoro-benzyl)-propyl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(2R)-4-[(2S)-2-(benzylcarbamoyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)butan-2-yl]carbamate
• CAS: 871130-57-3
• 化学式: C₂₇H₃₆FN₃O₃
• 分子量: 469.6
• InChiKey: OOCPASLQNORDDW-UPVQGACJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[(2S)-2-benzylcarbamoyl-pyrrolidin-1-yl]-[(1R)-(2-fluoro-benzyl)-propyl]-carbamic acid tert-butyl ester 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-[(3R)-amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2R)-carboxylic acid benzyl-amine (2 x TFA 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：

  N-benzyl-L-prolinamide trifluoroacetic acid salt 、 (1R)-[(2-fluoro-benzyl)-3-oxo-propyl]-carbamic acid tert-butyl ester 在 溶剂黄146 、 tetramethylammonium triacetoxyborohydride 、 原甲酸三甲酯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 3-[(2S)-2-benzylcarbamoyl-pyrrolidin-1-yl]-[(1R)-(2-fluoro-benzyl)-propyl]-carbamic 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。
• 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：EP1604662A1

  公开（公告）日：2005-12-14

  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.

  本发明涉及式 (I) 的化合物 其中 R1-9、Z、n、X、A 和 Rb 具有在说明书和权利要求书中引用的含义。所述化合物可用作 DPP-IV 抑制剂。本发明还涉及此类化合物的制备及其作为治疗 2 型糖尿病、肥胖症和血脂紊乱的药物的生产和使用。
• [EN] 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-CARBOXILIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS<br/>[FR] DERIVES DE 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-ACIDE CARBOXILIQUE-BENZYLAMINE ET COMPOSES APPARENTES UTILISES COMME INHIBITEURS DE LA DIPEPTIDYL-PEPTIDASE IV (DPP-IV) DESTINES AU TRAITEMENT DU DIABETE NON INSULINO-DEPENDANT
  申请人：SANTHERA PHARMACEUTICALS DEUTS

  公开号：WO2005120494A1

  公开（公告）日：2005-12-22

  The invention relates to compounds of formula (I), wherein R<1-9>,< >Z, n, X, A, and R 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.
• 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。