STI-OH | 1008130-08-2

• 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: STI-OH
• 英文别名: 4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• CAS: 1008130-08-2
• 化学式: C₃₀H₃₃N₇O₂
• 分子量: 523.638
• InChiKey: VOBIRZKGKBEAMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-氨基-4-硝基甲苯 在 氯化亚砜 、 tin(II) chloride dihdyrate 、 硝酸 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 乙酸乙酯 、 异丙醇 为溶剂， 反应 88.0h， 生成 STI-OH
  参考文献：
  名称：

  Imatinib analogs as potential agents for PET imaging of Bcr-Abl and c-KIT expression at a kinase level

  摘要：

  We synthesized two series of imatinib mesylate (STI-571) analogs to develop a Bcr-Abl and c-KIT receptor-specific labeling agent for positron emission tomography (PET) imaging to measure Bcr-Abl and c-KIT expression levels in a mouse model. The methods of molecular modeling, synthesis of STI-571 and its analogs, in vitro kinase assays, and radiolabeling are described. Molecular modeling revealed that these analogs bind the same Bcr-Abl and c-KIT binding sites as those bound by STI-571. The analogs potently inhibit the tyrosine kinase activity of Bcr-Abl and c-KIT, similarly to STI-571. [F-18]-labeled STI-571 was prepared with high specific activity (75 GBq/mu mol) by nucleophilic displacement and an average radiochemical yield of 12%. [I-131]-labeled STI-571 was prepared with high purity (>95%) and an average radiochemical yield of 23%. The uptake rates of [F-18]-STI-571 in K562 cells expressing Abl and in U87WT cells overexpressing c-KIT were significantly higher than those in the U87 cell and could be inhibited by STI-71 (confirming the specificity of uptake). PET scans of K562 and U87WT tumor-bearing mice with [F-18]-STI-571 as a contrast agent showed visible tumor uptake and tumor-to-non-target contrast. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2013.10.040

文献信息

• RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS
  申请人：Bornmann William

  公开号：US20110097268A1

  公开（公告）日：2011-04-28

  We disclose methods of synthesizing radiohalidated organic compounds and their use in positron emission tomography (PET) imaging of cancer cells.

  我们披露了合成放射性卤代有机化合物的方法，并将其用于正电子发射断层扫描（PET）成像癌细胞。
• Kinase inhibitors for preventing or treating pathogen infection and method of use thereof
  申请人：Emory University

  公开号：EP2364702A2

  公开（公告）日：2011-09-14

  A composition is provided which comprises one or more Kinase inhibitors for use for preventing or treating a pathogenic infection caused by a broad array of pathogens in a patient in need thereof.

  本发明提供了一种组合物，其中包含一种或多种激酶抑制剂，用于预防或治疗由多种病原体引起的病原体感染。
• Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof
  申请人：Emory University

  公开号：EP2471529A2

  公开（公告）日：2012-07-04

  A composition is provided which comprises one or more Kinase inhibitors for use for preventing or treating a pathogenic infection caused by a broad array of pathogens in a patient in need thereof.

  本发明提供了一种组合物，其中包含一种或多种激酶抑制剂，用于预防或治疗由多种病原体引起的病原体感染。
• KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF
  申请人：Kalman Daniel

  公开号：US20120302565A1

  公开（公告）日：2012-11-29

  The present invention provides compositions and methods of use thereof to prevent and/or treat pathogenic infection. In particular, the present invention provides the use of kinase inhibitors to inhibit kinases that involve in pathogen-host cell interactions that are associated with or cause pathogenic infections, therefore, to effectively prevent and/or treat pathogenic infections with far less likely to engender resistance as compared to conventional antibiotics and anti-viral drugs. The present invention further provides the use of kinase inhibitors for the treatment of acute pathogenic infections for a short period of time to avoid toxicities that may caused by long term use of these kinase inhibitors.
• US8268809B2
  申请人：——

  公开号：US8268809B2

  公开（公告）日：2012-09-18