(2r)-4-[(8r)-8-Methyl-2-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[1,5-A]pyrazin-7(8h)-Yl]-4-Oxo-1-(2,4,5-Trifluorophenyl)butan-2-Amine | 775284-56-5

• 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: (2r)-4-[(8r)-8-Methyl-2-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[1,5-A]pyrazin-7(8h)-Yl]-4-Oxo-1-(2,4,5-Trifluorophenyl)butan-2-Amine
• 英文别名: (3R)-3-amino-1-[(8R)-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• CAS: 775284-56-5
• 化学式: C₁₇H₁₇F₆N₅O
• 分子量: 421.345
• InChiKey: FDEXEPZGMKFCTG-PSASIEDQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  tert-butyl ((R)-4-((R)-8-methyl-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl)carbamate 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 (2r)-4-[(8r)-8-Methyl-2-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[1,5-A]pyrazin-7(8h)-Yl]-4-Oxo-1-(2,4,5-Trifluorophenyl)butan-2-Amine
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of triazolopiperazine-based β-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors

  摘要：

  Various P-amino amides containing triazolopiperazine heterocycles have been prepared and evaluated as potent, selective, orally active dipeptidyl peptidase IV (DPP-4) inhibitors. These compounds display excellent oral bioavailability and good overall pharmacokinetic profiles in preclinical species. Moreover, in vivo efficacy in an oral glucose tolerance test in lean mice is demonstrated. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.100

文献信息

• REGULATED BIOCIRCUIT SYSTEMS
  申请人：Obsidian Therapeutics, Inc.

  公开号：US20190192691A1

  公开（公告）日：2019-06-27

  The present invention provides regulatable biocircuit systems. Such systems provide modular and tunable protein expression systems in support of the discovery and development of therapeutic modalities.
• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.
• Design, synthesis, and biological evaluation of triazolopiperazine-based β-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors
  作者：Jennifer E. Kowalchick、Barbara Leiting、KellyAnn D. Pryor、Frank Marsilio、Joseph K. Wu、Huaibing He、Kathryn A. Lyons、George J. Eiermann、Aleksandr Petrov、Giovanna Scapin、Reshma A. Patel、Nancy A. Thornberry、Ann E. Weber、Dooseop Kim

  DOI：10.1016/j.bmcl.2007.07.100

  日期：2007.11

  Various P-amino amides containing triazolopiperazine heterocycles have been prepared and evaluated as potent, selective, orally active dipeptidyl peptidase IV (DPP-4) inhibitors. These compounds display excellent oral bioavailability and good overall pharmacokinetic profiles in preclinical species. Moreover, in vivo efficacy in an oral glucose tolerance test in lean mice is demonstrated. (c) 2007 Elsevier Ltd. All rights reserved.