N4-BOC-7-碘-N4,1-二甲基-1H-咪唑并[4,5-C]吡啶-4,6-二胺 | 914942-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: N4-BOC-7-碘-N4,1-二甲基-1H-咪唑并[4,5-C]吡啶-4,6-二胺
• 英文名称: tert-butyl 6-amino-7-iodo-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl(methyl)carbamate
• 英文别名: tert-butyl 6-amino-7-iodo-1-methyl-1H-imidazo[4,5-c]pyridine-4-yl(methyl)carbamate；tert-Butyl (6-amino-7-iodo-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)(methyl)carbamate；tert-butyl N-(6-amino-7-iodo-1-methylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate
• CAS: 914942-88-4
• 化学式: C₁₃H₁₈IN₅O₂
• 分子量: 403.223
• InChiKey: JZLKAZMOZMXQIY-UHFFFAOYSA-N

物化性质

• 沸点：
  527.4±60.0 °C(Predicted)
• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  86.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  N4-BOC-7-碘-N4,1-二甲基-1H-咪唑并[4,5-C]吡啶-4,6-二胺 在 bis-triphenylphosphine-palladium(II) chloride potassium tert-butylate 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.16h， 生成 3-[1,6-dihydro-1-methyl-4-(N-tert-butyloxycarbonyl-N-methylamino)imidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]benzonitrile
  参考文献：
  名称：

  WO2006/122137

  摘要：

  公开号：
• 作为产物：
  描述：

  4-[N-(methyl)-N-(tert-butyloxycarbonyl)amino]-6-chloro-1-methyl-1H-imidazo[4,5-c]pyridine 在 tris-(dibenzylideneacetone)dipalladium(0) 盐酸 、 N-碘代丁二酰亚胺 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 、 水 、 乙腈 为溶剂， 反应 11.08h， 生成 N4-BOC-7-碘-N4,1-二甲基-1H-咪唑并[4,5-C]吡啶-4,6-二胺
  参考文献：
  名称：

  WO2006/122137

  摘要：

  公开号：

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 J. William

  公开号：US20060270654A1

  公开（公告）日：2006-11-30

  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种化合物的药物组合物，以及使用这种化合物治疗炎症和免疫性疾病的方法。
• 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same
  申请人：Bristol-Myers Squibb Company

  公开号：US07737279B2

  公开（公告）日：2010-06-15

  The present invention provides for tricyclic compounds having the formula (I), wherein R1, R2, R5, R6, R7, and R8 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.

  本发明提供了具有以下公式（I）的三环化合物，其中R1、R2、R5、R6、R7和R8如本文所述。本发明还提供了包括这种化合物的制药组合物，以及使用这种化合物治疗炎症和免疫性疾病的方法。
• 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。
• Synthesis, initial SAR and biological evaluation of 1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-4-amine derived inhibitors of IκB kinase
  作者：James Kempson、Junqing Guo、Jagabandhu Das、Robert V. Moquin、Steven H. Spergel、Scott H. Watterson、Charles M. Langevine、Alaric J. Dyckman、Mark Pattoli、James R. Burke、XiaoXia Yang、Kathleen M. Gillooly、Kim W. McIntyre、Laishun Chen、John H. Dodd、Murray McKinnon、Joel C. Barrish、William J. Pitts

  DOI：10.1016/j.bmcl.2009.03.159

  日期：2009.5

  A new series of tricyclic-based inhibitors of IKK have been derived from an earlier lead compound. The synthesis and structure-activity relationships (SAR) are described. Compound 4k inhibited TNF production in rats stimulated with LPS. Published by Elsevier Ltd.
• 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)
  作者：Scott H. Watterson、Charles M. Langevine、Katy Van Kirk、James Kempson、Junquing Guo、Steven H. Spergel、Jagabandhu Das、Robert V. Moquin、Alaric J. Dyckman、David Nirschl、Kurt Gregor、Mark A. Pattoli、XiaoXia Yang、Kim W. McIntyre、Guchen Yang、Michael A. Galella、Hollie Booth-Lute、Laishun Chen、Zheng Yang、David Wang-Iverson、Murray McKinnon、John H. Dodd、Joel C. Barrish、James R. Burke、William J. Pitts

  DOI：10.1016/j.bmcl.2011.09.111

  日期：2011.12

  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.