N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | 1041703-75-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• 英文别名: N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• CAS: 1041703-75-6
• 化学式: C₁₅H₁₃N₇
• 分子量: 291.315
• InChiKey: OKGCSZUKOGMZAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  95.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯吡咯并嘧啶 、 2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline 以 1,2-二氯乙烷 为溶剂， 生成 N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  Synthesis and structure based optimization of novel Akt inhibitors

  摘要：

  Based on a high throughput screening hit, pyrrolopyrimidine inhibitors of the Akt kinase are explored. X-ray co-crystal structures of two lead series results in the understanding of key binding interactions, the design of new lead series, and enhanced potency. The syntheses of these series and their biological activities are described. Spiroindoline 13j is found to have an Akt1 kinase IC(50) of 2.4+/-0.6 nM, Akt cell potency of 50+/-19 nM, and provides 68% inhibition of tumor growth in a mouse xenograft model (50 mg/kg, qd, po).

  DOI：

  10.1016/j.bmcl.2008.04.034

文献信息

• 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.
• [EN] METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS<br/>[FR] PROCÉDÉS ET SYSTÈMES POUR STRATIFICATION DE PATIENTS ATTEINTS DE MALADIE INFLAMMATOIRE
  申请人：[en]CEDARS-SINAI MEDICAL CENTER

  公开号：WO2022119842A1

  公开（公告）日：2022-06-09

  Described herein are methods and systems for identifying subpopulations of inflammatory bowel disease (IBD) patients utilizing genetic markers that are associated with severe Crohn's disease. Further provided are therapies useful for treating these subpopulations of IBD patients based, at least in part, on the genetic markers provided herein.