(3r,4r)-4-(Pyrrolidin-1-Ylcarbonyl)-1-(Quinoxalin-2-Ylcarbonyl)pyrrolidin-3-Amine | 1001055-03-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (3r,4r)-4-(Pyrrolidin-1-Ylcarbonyl)-1-(Quinoxalin-2-Ylcarbonyl)pyrrolidin-3-Amine
• 英文别名: [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
• CAS: 1001055-03-3
• 化学式: C₁₈H₂₁N₅O₂
• 分子量: 339.397
• InChiKey: XDSKICAQKGYYJF-OLZOCXBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 碘代三甲硅烷 作用下， 以 乙腈 为溶剂， 生成 (3r,4r)-4-(Pyrrolidin-1-Ylcarbonyl)-1-(Quinoxalin-2-Ylcarbonyl)pyrrolidin-3-Amine
  参考文献：
  名称：

  Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors

  摘要：

  The cis-3-amino-4-(2-cyanopyrrolidide)-pyrrolidine template has been shown to afford low nanomolar inhibitors of human DPP-IV that exhibit a robust PK/PD profile. An X-ray co-crystal structure of 5 confirmed the proposed mode of binding. The potent single digit DPP-IV inhibitor 53 exhibited a preferred PK/PD profile in preclinical animal models and was selected for additional profiling.

  DOI：

  10.1016/j.bmcl.2007.10.063

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.