[3-((3S)-3-benzylcarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluoro-benzyl)-3-oxo-propyl]carbamic acid tert-butyl ester | 854113-39-6

• 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-((3S)-3-benzylcarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluoro-benzyl)-3-oxo-propyl]carbamic acid tert-butyl ester
• 英文别名: Boc-bAla(3R-Bn(2-F))-Tic-NHBn；tert-butyl N-[(2R)-4-[(3S)-3-(benzylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-fluorophenyl)-4-oxobutan-2-yl]carbamate
• CAS: 854113-39-6
• 化学式: C₃₂H₃₆FN₃O₄
• 分子量: 545.654
• InChiKey: ISHBVZJQCSGZPH-IAPPQJPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  87.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] DPP-IV INHIBITORS<br/>[FR] INHIBITEURS DPP-IV
  申请人：GRAFFINITY PHARMACEUTICALS AG

  公开号：WO2005056013A1

  公开（公告）日：2005-06-23

  The invention relates to compounds of formula (I)wherein a dotted line indicates an optionally present double bond and wherein Z, R1 - R8, n, X1, X2, Y and T 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.