4-Amino-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide | 623901-00-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Amino-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
• 英文别名: 4-amino-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• CAS: 623901-00-8
• 化学式: C₂₂H₁₈N₆O
• 分子量: 382.425
• InChiKey: OEPYYTCOZCQKGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-甲氧基乙胺 、 4-Amino-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide 在 nitrosonium tetrafluoroborate 、 三乙胺 作用下， 以 乙腈 、 乙醚 为溶剂， 生成 4-[3-(2-methoxyethyl)triazanyl]-N-[3-(4-pyridin-3-ylpyrimidineamino)phenyl]benzamide
  参考文献：
  名称：

  Synthesis of pyrimidinopyridine–triazene conjugates targeted to abl tyrosine kinase

  摘要：

  The synthesis and abl tyrosine kinase inhibitory activities of alkyltriazenes conjugated to phenylaminopyrimidines are described. Significant abl inhibitory activities were observed only when a benzamido spacer was inserted between the 1,23-triazene chain and the 2-phenyaminopyridopyrimidine moiety. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00553-5
• 作为产物：
  描述：

  1,3-苯二胺,N-[4-(3-吡啶基)-2-嘧啶基]- 在 吡啶 、 4-二甲氨基吡啶 、 铁粉 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 4-Amino-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
  参考文献：
  名称：

  Synthesis of pyrimidinopyridine–triazene conjugates targeted to abl tyrosine kinase

  摘要：

  The synthesis and abl tyrosine kinase inhibitory activities of alkyltriazenes conjugated to phenylaminopyrimidines are described. Significant abl inhibitory activities were observed only when a benzamido spacer was inserted between the 1,23-triazene chain and the 2-phenyaminopyridopyrimidine moiety. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00553-5

文献信息

• Reagents and methods for analysis of proteins and metabolites targeted by covalent probes
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10969394B2

  公开（公告）日：2021-04-06

  The present application relates to mass spectrometry methods for use in identifying proteins or other biomolecules which are bound irreversibly by test compounds.

  本申请涉及用于鉴定被测试化合物不可逆结合的蛋白质或其他生物大分子的质谱方法。
• Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20190346454A1

  公开（公告）日：2019-11-14

  The present application relates to mass spectrometry methods for use in identifying proteins or other biomolecules which are bound irreversibly by test compounds.
• [EN] REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES<br/>[FR] RÉACTIFS ET MÉTHODES D'ANALYSE DE PROTÉINES ET DE MÉTABOLITES CIBLÉS PAR DES SONDES COVALENTES
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2018098473A1

  公开（公告）日：2018-05-31

  The present application relates to mass spectrometry methods for use in identifying proteins or other biomolecules which are bound irreversibly by test compounds.
• Synthesis of pyrimidinopyridine–triazene conjugates targeted to abl tyrosine kinase
  作者：Zakaria Rachid、Athanasia Katsoulas、Fouad Brahimi、Bertrand Jacques Jean-Claude

  DOI：10.1016/s0960-894x(03)00553-5

  日期：2003.10

  The synthesis and abl tyrosine kinase inhibitory activities of alkyltriazenes conjugated to phenylaminopyrimidines are described. Significant abl inhibitory activities were observed only when a benzamido spacer was inserted between the 1,23-triazene chain and the 2-phenyaminopyridopyrimidine moiety. (C) 2003 Elsevier Ltd. All rights reserved.