6-chloro-9-(chloromercuri)purine | 55094-87-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 6-chloro-9-(chloromercuri)purine
• 英文别名: 6-Chloropurin-9-ide;mercury(2+);chloride
• CAS: 55094-87-6
• 化学式: C₅H₂ClN₄*Cl*Hg
• 分子量: 389.594
• InChiKey: SNTSEMALPYLCIB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.36
• 重原子数：
  12
• 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：
  39.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-chloro-9-(chloromercuri)purine 以 neat (no solvent) 为溶剂， 生成 mercury dichloride
  参考文献：
  名称：

  Thermal and spectroscopic study of some metal complexes of 6-chloropurine

  摘要：

  Solid complexes of 6-chloropurine (6-ClPH) with the cations Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) have been obtained and characterised on the basis of elemental analysis and IR spectroscopy. Except for the Hg(II) compound, Hg(6-ClP)Cl, the remaining complexes have the general formula M(6-ClP)2 with a variable amount of water. The thermal behaviour of these complexes has been studied by TG and DSC techniques. The IR spectra of the compounds are also discussed.

  DOI：

  10.1016/0040-6031(91)80036-i
• 作为产物：
  描述：

  6-氯嘌呤 、 mercury dichloride 以 水 为溶剂， 生成 6-chloro-9-(chloromercuri)purine
  参考文献：
  名称：

  Thermal and spectroscopic study of some metal complexes of 6-chloropurine

  摘要：

  Solid complexes of 6-chloropurine (6-ClPH) with the cations Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) have been obtained and characterised on the basis of elemental analysis and IR spectroscopy. Except for the Hg(II) compound, Hg(6-ClP)Cl, the remaining complexes have the general formula M(6-ClP)2 with a variable amount of water. The thermal behaviour of these complexes has been studied by TG and DSC techniques. The IR spectra of the compounds are also discussed.

  DOI：

  10.1016/0040-6031(91)80036-i

文献信息

• Synthesis and DNA-binding properties of novel DNA cyclo-intercalators containing purine–glucuronic acid hybrids
  作者：Renshuai Zhang、Shaopeng Chen、Xueting Wang、Rilei Yu、Mingjing Li、Sumei Ren、Tao Jiang

  DOI：10.1016/j.carres.2016.04.011

  日期：2016.6

  incorporated two intercalator subunits linked by two bridges, were synthesized. Binding of the compounds to calf-thymus DNA was studied by fluorescence spectroscopy, and docking simulations were used to predict the binding modes of these cyclic compounds. The spectral data demonstrated that all of these compounds can interact with CT-DNA. The sugar moiety played an important role in the process of binding

  合成了新的DNA环嵌入剂，其中整合了由两个桥连接的两个嵌入剂亚基。通过荧光光谱研究了化合物与小牛胸腺DNA的结合，并使用对接模拟来预测这些环状化合物的结合模式。光谱数据表明，所有这些化合物均可与CT-DNA相互作用。糖部分在含葡萄糖醛酸和DNA的嵌入剂之间的结合过程中起着重要作用。连接桥的长度和柔性影响所得环嵌入剂的结合亲和力。对接模拟显示，化合物7和8作为单嵌入剂与DNA相互作用。
• Acyclic-sugar purine nucleosides derived from d-glucose: stereochemical correlations in acyclic-sugar derivatives unequally substituted at c-1
  作者：Kathleen C. Blieszner、Derek Horton、Robert A. Markovs

  DOI：10.1016/s0008-6215(00)84863-6

  日期：1980.4

  O-deacetylated derivative could be s-methylated to the corresponding 6-(methylthio)purin-9-yl analog; all compounds in this sequence were crystalline and were the pure (1s) isomers, as were the corresponding 1′-s-ethyl derivatives prepared by a similar route. Crystal-structure analysis of the O-deacetylated derivative of the 1-s-ethyl analog of 3 established the relative stereochemistry of the ethylthio

  2,3,4,5,6-戊五-O-乙酰基-1-溴-1-s-甲基-1-硫代-d-葡萄糖醛（1）与6-氯-9-（氯汞）嘌呤的缩合反应49％的结晶左旋（1s）-2,3,4,5,6-戊基-O-乙酰基-1-（6-氯嘌呤-9-基）-1-s-甲基-1-硫代-d-葡萄糖醇（3），以及较小比例的糖浆，右旋（1R）异构体。硫脲将3转化为其6-巯基嘌呤类似物，其O-脱乙酰基衍生物可被s-甲基化为相应的6-（甲硫基）嘌呤-9-基类似物。该序列中的所有化合物均为晶体，均为纯的（1s）异构体，通过类似方法制备的相应1'-s-乙基衍生物也是如此。3的1-s-乙基类似物的O-去乙酰化衍生物的晶体结构分析确定了乙硫基的相对立体化学，允许将（1s）绝对立体化学分配给该化合物，从而分配给所有化合物，顺序从1开始，包括之前描述的结晶的左旋1-（1,6-二氢-6-硫代嘌呤-9-基）-迄今尚未确定其在C-1上的手性的1-s-乙基-1-硫
• Nucleosides having acyclic 2-deoxy-1-thio-d-arabino-hexitol and 2-deoxy-1-thio-d-erythro-pentitol chains
  作者：Derek Horton、Robert A. Markovs

  DOI：10.1016/s0008-6215(00)84879-x

  日期：1980.4