| 1426824-57-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1426824-57-8
• 化学式: Br*C₈H₁₃N₂O₂
• 分子量: 249.107
• InChiKey: TVQZRXDSXBJDJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.73
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.11
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 亚磷酸 、 三氯氧磷 、 盐酸 、 水 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 [1-Hydroxy-1-phosphono-2-(3-propylimidazol-1-ium-1-yl)ethyl]phosphonic acid
  参考文献：
  名称：

  Chemo-Immunotherapeutic Antimalarials Targeting Isoprenoid Biosynthesis

  摘要：

  We synthesized 30 lipophilic bisphosphonates and tested them in malaria parasite killing (targeting parasite geranylgeranyl diphosphate synthase, GGPPS) and human gamma delta T cell activation (targeting human farnesyl diphosphate synthase, FPPS). Similar patterns of activity were seen in inhibiting human FPPS and Plasmodium GGPPS, with short to medium chain-length species having most activity. In cells, shorter chain-length species had low activity, due to poor membrane permeability, and longer chain length species were poor enzyme inhibitors. Optimal activity was thus seen with similar to C-10 side-chains, which have the best combination of enzyme inhibition and cell penetration. We also solved the crystal structure of one potent inhibitor, bound to FPPS. The results are of interest since they suggest the possibility of a combined chemo/immuno-therapeutic approach to antimalarial development in which both direct parasite killing and gamma delta T cell activation can be achieved with a single compound.

  DOI：

  10.1021/ml4000436
• 作为产物：
  描述：

  1-丙基咪唑 在 盐酸 、 水 作用下， 以 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  Chemo-Immunotherapeutic Antimalarials Targeting Isoprenoid Biosynthesis

  摘要：

  We synthesized 30 lipophilic bisphosphonates and tested them in malaria parasite killing (targeting parasite geranylgeranyl diphosphate synthase, GGPPS) and human gamma delta T cell activation (targeting human farnesyl diphosphate synthase, FPPS). Similar patterns of activity were seen in inhibiting human FPPS and Plasmodium GGPPS, with short to medium chain-length species having most activity. In cells, shorter chain-length species had low activity, due to poor membrane permeability, and longer chain length species were poor enzyme inhibitors. Optimal activity was thus seen with similar to C-10 side-chains, which have the best combination of enzyme inhibition and cell penetration. We also solved the crystal structure of one potent inhibitor, bound to FPPS. The results are of interest since they suggest the possibility of a combined chemo/immuno-therapeutic approach to antimalarial development in which both direct parasite killing and gamma delta T cell activation can be achieved with a single compound.

  DOI：

  10.1021/ml4000436

文献信息

• Effective hydrogenation of CO₂ to formate catalyzed by ionic liquid modified acetate-Cu
  作者：Jinling Hu、Jia Liu、Chenfei Yao、Lei Zhou、Youting Wu、Zhibing Zhang、Xingbang Hu

  DOI：10.1039/d0gc03502e

  日期：——

  Hydrogenation of CO2 is challenging, especially when non-precious metals are used as catalysts. Herein, we report an effective hydrogenation of CO2 to formate catalyzed by imidazole ionic liquid modified acetate-Cu. The catalytic ability of acetate-Cu was greatly enhanced by ionic liquid modification. The highest turnover number could reach 2005, which is 12.2 times higher than that of unmodified acetate-Cu

  CO 2的氢化具有挑战性，特别是在使用非贵金属作为催化剂时。在本文中，我们报道了咪唑离子液体改性的乙酸铜催化有效的CO 2加氢生成甲酸酯。离子液体改性大大提高了乙酸铜的催化能力。最高的营业额可能达到2005年，是未改性醋酸铜的12.2倍。另外，离子液体改性的乙酸铜-铜易于回收。