N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide | 943321-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
• CAS: 943321-51-5
• 化学式: C₂₀H₁₈N₄OS
• 分子量: 362.455
• InChiKey: TWYNGDRSMHRPSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,1-dimethylethyl [2-phenyl-2-({[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thienyl]carbonyl}amino)ethyl]carbamate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以100%的产率得到N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
  参考文献：
  名称：

  Discovery of 5-pyrrolopyridinyl-2-thiophenecarboxamides as potent AKT kinase inhibitors

  摘要：

  A pyrrolopyridinyl thiophene carboxamide 7 was discovered as a tractable starting point for a lead optimization effort in an AKT kinase inhibition program. SAR studies aided by a co-crystal structure of 7 in AKT2 led to the identification of AKT inhibitors with subnanomolar potency. Representative compounds showed antiproliferative activity as well as inhibition of phosphorylation of the downstream target GSK3 beta. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.094

文献信息

• INHIBITORS OF Akt ACTIVITY
  申请人：SmithKline Beecham Corporation

  公开号：EP1968568A2

  公开（公告）日：2008-09-17
• 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.
• [EN] INHIBITORS OF Akt ACTIVITY<br/>[FR] INHIBITEURS D'ACTIVITE Akt
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2007076423A2

  公开（公告）日：2007-07-05

  [EN] Invented are novel thiophene compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.
  [FR] La présente invention concerne des composés de thiophène atypiques, l'utilisation de tels composés comme inhibiteurs de l'activité de la protéine kinase B et pour le traitement du cancer et de l'arthrite.
• [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.