5-phenyl-6-(triethylsilyl)-7-H-pyrrolo[2,3-d]pyrimidin-4-ylamine | 873078-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-phenyl-6-(triethylsilyl)-7-H-pyrrolo[2,3-d]pyrimidin-4-ylamine
• 英文别名: 5-phenyl-6-triethylsilyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• CAS: 873078-75-2
• 化学式: C₁₈H₂₄N₄Si
• 分子量: 324.501
• InChiKey: RQMOGQAYMMPMOA-UHFFFAOYSA-N

物化性质

• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-phenyl-6-(triethylsilyl)-7-H-pyrrolo[2,3-d]pyrimidin-4-ylamine 在 4-二甲氨基吡啶 、 N-碘代丁二酰亚胺 、 lithium aluminium tetrahydride 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (S)-[6-iodo-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(tetrahydrofuran-2-ylmethyl)amine
  参考文献：
  名称：

  Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors

  摘要：

  Two classes of ACK1 inhibitors, 4,5,6-trisubstituted furo[2,3-d]pyrimidin4-amines and 4,5,6-trisubstituted 7H-pyrrolo[2,3-d]pyrimidin-4-amines, were discovered and evaluated as ACK1 inhibitors. Further structural refinement led to the identification of potent and selective dithiolane inhibitor 37. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.08.020
• 作为产物：
  描述：

  triethylsilylphenylethyne 、 4,6-二氨基-5-碘嘧啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 、 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-phenyl-6-(triethylsilyl)-7-H-pyrrolo[2,3-d]pyrimidin-4-ylamine
  参考文献：
  名称：

  Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors

  摘要：

  Two classes of ACK1 inhibitors, 4,5,6-trisubstituted furo[2,3-d]pyrimidin4-amines and 4,5,6-trisubstituted 7H-pyrrolo[2,3-d]pyrimidin-4-amines, were discovered and evaluated as ACK1 inhibitors. Further structural refinement led to the identification of potent and selective dithiolane inhibitor 37. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.08.020

文献信息

• Pyrrolo[2,3-d]pyrimidines that modulate ACK1 activity
  申请人：Farthing N. Christopher

  公开号：US20060040965A1

  公开（公告）日：2006-02-23

  Compounds that modulate the action of ACK1 and LCK, and related compositions methods for treating ACK1- and LCK-mediated diseases are described. In one aspect, the compounds have the general structure: where the values of the substituents are provided herein.

  本文描述了调节ACK1和LCK作用的化合物以及相关组合物和治疗ACK1和LCK介导疾病的方法。在一个方面，这些化合物具有以下一般结构：其中取代基的值在此处提供。
• [EN] PYRROLO[2,3-d]PYRIMIDINES THAT MODULATE ACK1 AND LCK ACTIVITY<br/>[FR] PYRROLO [2, 3-D] PYRIMIDINES QUI MODULENT L'ACTIVITE ACK1 ET LCK
  申请人：AMGEN INC

  公开号：WO2006004703A3

  公开（公告）日：2006-03-09
• Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors
  作者：XianYun Jiao、David J. Kopecky、JinSong Liu、JinQian Liu、Juan C. Jaen、Mario G. Cardozo、Rajiv Sharma、Nigel Walker、Holger Wesche、Shyun Li、Ellyn Farrelly、Shou-Hua Xiao、Zhulun Wang、Frank Kayser

  DOI：10.1016/j.bmcl.2012.08.020

  日期：2012.10

  Two classes of ACK1 inhibitors, 4,5,6-trisubstituted furo[2,3-d]pyrimidin4-amines and 4,5,6-trisubstituted 7H-pyrrolo[2,3-d]pyrimidin-4-amines, were discovered and evaluated as ACK1 inhibitors. Further structural refinement led to the identification of potent and selective dithiolane inhibitor 37. (C) 2012 Published by Elsevier Ltd.