| 1258327-38-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1258327-38-6
• 化学式: C₆₇H₁₂₂N₁₂O₁₅
• 分子量: 1335.78
• InChiKey: YZWNBDYLPFHOON-DMFGEXKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  94.0
• 可旋转键数：
  38.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  351.35
• 氢给体数：
  7.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 4-二甲氨基吡啶 、 1-丙基磷酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 60.0h， 生成 tert-butyl((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-((1R,2R)-1-hydroxy-2-methylhex-4-enyl)-5,8,23,29-tetraisobutyl-11,26-diisopropyl-4,7,10,13,19,22,28,32-octamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)methylcarbamate
  参考文献：
  名称：

  Synthesis and biological evaluation of [d-lysine]8cyclosporin A analogs as potential anti-HCV agents

  摘要：

  An efficient synthesis of [D-lysine](8)cyclosporin A has been developed. Several analogs of [ D- lysine] 8cyclosporin A have been synthesized and show promising anti-HCV activity, particularly compounds 39 and 43, which each exhibit an anti-HCV EC50 < 200 nM, and are each >= 50-fold less immunosuppressive than cyclosporin A. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.036
• 作为产物：
  描述：

  在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.5h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of [d-lysine]8cyclosporin A analogs as potential anti-HCV agents

  摘要：

  An efficient synthesis of [D-lysine](8)cyclosporin A has been developed. Several analogs of [ D- lysine] 8cyclosporin A have been synthesized and show promising anti-HCV activity, particularly compounds 39 and 43, which each exhibit an anti-HCV EC50 < 200 nM, and are each >= 50-fold less immunosuppressive than cyclosporin A. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.036