7-氯-1H-咪唑并[4,5-c]吡啶-4-胺 | 668268-69-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 中文名称: 7-氯-1H-咪唑并[4,5-c]吡啶-4-胺
• 英文名称: 3-chloro-3-deazaadenine
• 英文别名: 7-chloro-1H-imidazo[4,5-c]pyridin-4-amine；7-chloro-3H-imidazo[4,5-c]pyridin-4-amine
• CAS: 668268-69-7
• 化学式: C₆H₅ClN₄
• mdl: MFCD18803252
• 分子量: 168.585
• InChiKey: JNVAYRKQQLXCQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,6-二氯吡啶N-氧化物 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 硫酸 、 氨 、 水 、 氢气 、 硝酸 、 乙酸酐 、 铁粉 、 溶剂黄146 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 乙醇 、 N,N-二甲基乙酰胺 、 水 为溶剂， 20.0~160.0 ℃ 、234.42 kPa 条件下， 反应 130.92h， 生成 7-氯-1H-咪唑并[4,5-c]吡啶-4-胺
  参考文献：
  名称：

  Design and Synthesis of a Series of Chlorinated 3-Deazaadenine Analogues

  摘要：

  A series of chlorinated adenine analogues were designed with sights set on the development of potential antitumor agents. During the synthetic efforts, two unexpected compounds were identified. Their synthesis, along with synthesis of the chlorinated targets is presented herein.

  DOI：

  10.1081/ncn-120026635

文献信息

• FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS
  申请人：Cayman Chemical Company, Incorporated

  公开号：US20150323542A1

  公开（公告）日：2015-11-12

  Assay methods may generally comprise forming homogeneous assay mixtures comprising target SAM-utilizing protein, fluorescent detection analyte, and test compound, incubating, and measuring FP or TR-FRET signal emitted in order to determine a measure of test compound-SAM-utilizing protein binding. Assay mixtures comprise a SAM-utilizing protein, and a fluorescent detection analyte that binds with the SAM-utilizing protein in the absence of test compound. Assay mixtures may further comprise a test compound. Assay mixture embodiments may generate FP or TR-FRET signal properties that are a function of the inherent binding interactions of both the test compound and the detection analyte with the SAM-utilizing protein. Fluorescent detection analytes comprise a fluorophore moiety, a covalent linker moiety, and a SAM-utilizing protein ligand moiety and could be utilized in FP or TR-FRET assays to measure test compound binding.

  检测方法通常包括形成均质的检测混合物，其中包括目标SAM利用蛋白、荧光检测分析物和测试化合物，孵育并测量发射的FP或TR-FRET信号，以确定测试化合物-SAM利用蛋白结合的测量值。检测混合物包括SAM利用蛋白和荧光检测分析物，在缺乏测试化合物的情况下与SAM利用蛋白结合。检测混合物还可以包括测试化合物。检测混合物的实施例可以产生FP或TR-FRET信号属性，这些属性是测试化合物和检测分析物与SAM利用蛋白的固有结合相互作用的函数。荧光检测分析物包括荧光基团、共价连接基团和SAM利用蛋白配体基团，可用于FP或TR-FRET检测中测量测试化合物的结合。
• Design and Synthesis of a Series of Chlorinated 3-Deazaadenine Analogues
  作者：Katherine L. Seley、Peter I. O'Daniel‡、Samer Salim‡

  DOI：10.1081/ncn-120026635

  日期：2003.12.31

  A series of chlorinated adenine analogues were designed with sights set on the development of potential antitumor agents. During the synthetic efforts, two unexpected compounds were identified. Their synthesis, along with synthesis of the chlorinated targets is presented herein.