| 1209003-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1209003-10-0
• 化学式: C₅₆H₅₂N₄O₁₂S₄
• 分子量: 1101.31
• InChiKey: QEXFMHVMIOOSSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.42
• 重原子数：
  76.0
• 可旋转键数：
  16.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  215.68
• 氢给体数：
  2.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 以0.177 g的产率得到
  参考文献：
  名称：

  Synthesis and anti-HIV evaluation of water-soluble calixarene-based bithiazolyl podands

  摘要：

  Nine anionic water-soluble calix[4] arene species, incorporating sulfonate, carboxylate or phosphonate groups, six of them incorporating two 2,2'-bithiazole subunits in alternate position at the lower rim, have been synthesised and evaluated as anti-HIV agents on various HIV strains and cells of the lymphocytic lineage (HIV-1 III B/MT4, HIV-1 LAI/CEM-SS, HIV-1 Bal/PBMC), using AZT as reference compound. A toxicity was detected for a minority of compounds on PBMC whereas for the others no cellular toxicity was measured at concentrations up to 100 mu M. Most of the compounds have an antiviral activity in a 10-50 mu M range, and one of them, sulfonylated, displays its activity, whatever the tropism of the virus, at a micromolar concentration. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.016
• 作为产物：
  描述：

  杯[4]芳烃 、 diethyl 4-(bromomethyl)-4'-methyl-2,2'-bithiazole-5,5'-dicarboxylate 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 3.5h， 以65%的产率得到
  参考文献：
  名称：

  Synthesis and anti-HIV evaluation of water-soluble calixarene-based bithiazolyl podands

  摘要：

  Nine anionic water-soluble calix[4] arene species, incorporating sulfonate, carboxylate or phosphonate groups, six of them incorporating two 2,2'-bithiazole subunits in alternate position at the lower rim, have been synthesised and evaluated as anti-HIV agents on various HIV strains and cells of the lymphocytic lineage (HIV-1 III B/MT4, HIV-1 LAI/CEM-SS, HIV-1 Bal/PBMC), using AZT as reference compound. A toxicity was detected for a minority of compounds on PBMC whereas for the others no cellular toxicity was measured at concentrations up to 100 mu M. Most of the compounds have an antiviral activity in a 10-50 mu M range, and one of them, sulfonylated, displays its activity, whatever the tropism of the virus, at a micromolar concentration. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.016