L-Isoleucyl-N-(4-nitrophenyl)-L-prolinamide | 90145-77-0

• 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: L-Isoleucyl-N-(4-nitrophenyl)-L-prolinamide
• 英文别名: (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
• CAS: 90145-77-0
• 化学式: C₁₇H₂₄N₄O₄
• 分子量: 348.402
• InChiKey: ZCYNEEKHMUQDBT-CQDKDKBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  L-脯氨酰对硝基苯胺 在 polymer-bound carbodiimide 、 1-羟基苯并三唑 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 8.17h， 生成 L-Isoleucyl-N-(4-nitrophenyl)-L-prolinamide
  参考文献：
  名称：

  Polymer-assisted solution-phase parallel synthesis of dipeptide p-nitroanilides and dipeptide diphenyl phosphonates

  摘要：

  This letter describes the parallel synthesis of dipeptide p-nitroanilides (1) and dipeptide diphenyl phosphonates (2). compounds that can be used as Substrates and irreversible inhibitors for the rapid profiling of dipeptidyl peptidases. A polymer-assisted solution-phase synthesis was used for a rapid and clean Coupling between easily available building blocks. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01954-2

文献信息

• Crystal structure of dipeptidyl peptidase IV
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1422293A1

  公开（公告）日：2004-05-26

  The present invention relates to crystal structure information obtained from crystals of the dipeptidyl-peptidase DPP-IV, to methods of preparing such crystals, and to their use for the identification and/or design of inhibitors of DPP-IV activity. A further subject matter of the invention are methods for the identification and/or design of inhibitor compounds of DPP-IV activity, the inhibitor compounds of DPP-IV activity identified by these methods and their use in pharmaceutical compositions for the treatment and/or prevention of diseases comprising diabetes types I and II, IGT, obesity and cancer.

  本发明涉及从二肽基肽酶 DPP-IV 晶体中获得的晶体结构信息、制备此类晶体的方法以及将其用于鉴定和/或设计 DPP-IV 活性抑制剂的方法。本发明的另一个主题是鉴定和/或设计 DPP-IV 活性抑制剂化合物的方法、通过这些方法鉴定的 DPP-IV 活性抑制剂化合物及其在治疗和/或预防包括 I 型和 II 型糖尿病、IGT、肥胖症和癌症在内的疾病的药物组合物中的用途。
• Crystals of DPP-IV
  申请人：Hennig Michael

  公开号：US20070015269A1

  公开（公告）日：2007-01-18

  The present invention provides a crystal of the extracellular domain of mammalian DPP-IV, wherein the crystal has an orthorhombic space group of P2 1 2 1 2 1 and one homodimer of DPP-IV in the asymmetric unit. Also provided is a co-crystal which includes a ligand bound to the active site of mammalian DPP-IV. The invention permits the identification or design of inhibitor compounds of DPP-IV activity, for use in treatment of type II diabetes.