tert-butyl N-[6-amino-7-[2-[6-[[(2-methoxyacetyl)amino]methyl]pyridin-2-yl]ethynyl]-1-methylimidazo[4,5-c]pyridin-4-yl]-N-methylcarbamate | 914947-29-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: tert-butyl N-[6-amino-7-[2-[6-[[(2-methoxyacetyl)amino]methyl]pyridin-2-yl]ethynyl]-1-methylimidazo[4,5-c]pyridin-4-yl]-N-methylcarbamate
• CAS: 914947-29-8
• 化学式: C₂₄H₂₉N₇O₄
• 分子量: 479.539
• InChiKey: NGMBYUZZAONJKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[6-amino-7-[2-[6-[[(2-methoxyacetyl)amino]methyl]pyridin-2-yl]ethynyl]-1-methylimidazo[4,5-c]pyridin-4-yl]-N-methylcarbamate 在 potassium tert-butylate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以90%的产率得到tert-butyl N-[11-[6-[[(2-methoxyacetyl)amino]methyl]pyridin-2-yl]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]-N-methylcarbamate
  参考文献：
  名称：

  Novel tricyclic inhibitors of IKK2: Discovery and SAR leading to the identification of 2-methoxy-N-((6-(1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl)pyridin-2-yl)methyl)acetamide (BMS-066)

  摘要：

  The synthesis, structure-activity relationships (SAR), and biological results of pyridyl-substituted azaindole based tricyclic inhibitors of IKK2 are described. Compound 4m demonstrated potent in vitro potency, acceptable pharmacokinetic and physicochemical properties, and efficacy when dosed orally in a mouse model of inflammatory bowel disease. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.111
• 作为产物：
  描述：

  2-methoxy-N-[[6-(2-trimethylsilylethynyl)pyridin-2-yl]methyl]acetamide 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium carbonate 、 二异丙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl N-[6-amino-7-[2-[6-[[(2-methoxyacetyl)amino]methyl]pyridin-2-yl]ethynyl]-1-methylimidazo[4,5-c]pyridin-4-yl]-N-methylcarbamate
  参考文献：
  名称：

  Novel tricyclic inhibitors of IKK2: Discovery and SAR leading to the identification of 2-methoxy-N-((6-(1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl)pyridin-2-yl)methyl)acetamide (BMS-066)

  摘要：

  The synthesis, structure-activity relationships (SAR), and biological results of pyridyl-substituted azaindole based tricyclic inhibitors of IKK2 are described. Compound 4m demonstrated potent in vitro potency, acceptable pharmacokinetic and physicochemical properties, and efficacy when dosed orally in a mouse model of inflammatory bowel disease. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.111

文献信息

• 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME
  申请人：Pitts William J.

  公开号：US20100210629A1

  公开（公告）日：2010-08-19

  The present invention provides for tricyclic compounds having the formula (I), wherein R 1 , R 2 , R 5 , R 6 , R 7 , and R 8 are as described herein. The present invention further provides pharmaceutical compositions comprising such compounds, as well as the use of such compounds for treating inflammatory and immune diseases.

  本发明提供了具有式（I）的三环化合物，其中R1、R2、R5、R6、R7和R8如本文所述。本发明还提供了包含这些化合物的药物组合物，以及使用这些化合物治疗炎症和免疫性疾病的方法。
• US7737279B2
  申请人：——

  公开号：US7737279B2

  公开（公告）日：2010-06-15
• US8268855B2
  申请人：——

  公开号：US8268855B2

  公开（公告）日：2012-09-18