polyandrocarpamine A trifluoroacetate | 1131006-51-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: polyandrocarpamine A trifluoroacetate
• CAS: 1131006-51-3
• 化学式: C₂HF₃O₂*C₁₁H₁₁N₃O₃
• 分子量: 347.251
• InChiKey: XCDKIQWSEPYWPV-ZULQGGHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.82
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  134.24
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  胍基乙酸内酰胺盐酸盐 、 香草醛 、 三氟乙酸 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 0.33h， 以56%的产率得到polyandrocarpamine A trifluoroacetate
  参考文献：
  名称：

  A microwave-assisted stereoselective synthesis of polyandrocarpamines A and B

  摘要：

  A stereoselective synthesis of the marine natural products, polyandrocarpamines A and B, has been achieved using a high-yielding one-step aldol condensation reaction under microwave conditions. The structures of both synthetic compounds were confirmed following 1 D and 2D NMR, UV, IR and MS spectral analysis, and by comparison with literature data. Both synthetic natural products were assigned Z geometry about their exocyclic double bond on the basis of (13)C/(1)H long-range coupling constants, which were measured using a gHSQMBC experiment. Polyandrocarpamines A and B were evaluated for their cytotoxicity towards the tumour cell lines, MCF-7 (breast), H460 (lung) and SF268 (central nervous system). Polyandrocarpamine A displayed selective cytotoxicity towards the SF268 cell line with a GI(50) value of 65 mu M. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.12.010