| 1609449-81-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1609449-81-1
• 化学式: C₄₀H₄₀O₈
• 分子量: 648.753
• InChiKey: PIBUMJAKTNDVKI-RXFYJBGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  48.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  92.68
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  、 5-[2-(Ethoxymethoxy)ethyl]-2-iodo-3-methoxybenzoic acid 在 4-二甲氨基吡啶 、 1,2-二氯乙烷 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以98%的产率得到[8-[(2S,3S,4R,5S,6S)-3-acetyloxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]-4-methoxy-5-phenylmethoxynaphthalen-1-yl] 5-[2-(ethoxymethoxy)ethyl]-2-iodo-3-methoxybenzoate
  参考文献：
  名称：

  Total Synthesis of the Antitumor Natural Product Polycarcin V and Evaluation of Its DNA Binding Profile

  摘要：

  The convergent total synthesis of polycarcin V, a gilvocarcin-type natural product that shows significant cytotoxicity with selectivity for nonsmall-cell lung cancer, breast cancer, and melanoma cells, has been achieved in 13 steps from 7, 8, and 22; the sequence features a stereoselective alpha-C-glycosylation reaction for the union of protected carbohydrate 7' and naphthol 8. The association constant for the binding of polycarcin V to duplex DNA is similar to that previously reported for gilvocarcin V.

  DOI：

  10.1021/ol501095w
• 作为产物：
  描述：

  在 盐酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 8.0h， 以95%的产率得到
  参考文献：
  名称：

  Total Synthesis of the Antitumor Natural Product Polycarcin V and Evaluation of Its DNA Binding Profile

  摘要：

  The convergent total synthesis of polycarcin V, a gilvocarcin-type natural product that shows significant cytotoxicity with selectivity for nonsmall-cell lung cancer, breast cancer, and melanoma cells, has been achieved in 13 steps from 7, 8, and 22; the sequence features a stereoselective alpha-C-glycosylation reaction for the union of protected carbohydrate 7' and naphthol 8. The association constant for the binding of polycarcin V to duplex DNA is similar to that previously reported for gilvocarcin V.

  DOI：

  10.1021/ol501095w