| 1216943-79-1

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素内酯
• CAS: 1216943-79-1
• 化学式: C₃₄H₄₂N₃O₁₁
• 分子量: 668.721
• InChiKey: KQDXCHIXVDARDH-IFVDVISMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  48
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  155
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  N-(1-ylooxy-2,2,6,6-tetramethyl-4-piperidinyloxycarbonyl)-L-alanine 、 (5R,5aR,8aS,9S)-9-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以47%的产率得到
  参考文献：
  名称：

  Novel semisynthetic spin-labeled derivatives of podophyllotoxin with cytotoxic and antioxidative activity

  摘要：

  A series of novel spin-labeled podophyllotoxin derivatives were synthesized by reacting the corresponding N-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyloxy carbonyl)-amino acids with 4 beta-amino-4'-demethylepipodophyllotoxin. The synthesized derivatives 12a-g were evaluated for the partition coefficients, cytotoxicities in vitro against three tumor cell lines (A-549, HL-60, and RPMI-8226) and antioxidative activities in tissues of SD rats by the TBA method. The vast majority of target compounds have shown superior or comparable activities against A-549, HL-60, and RPMI-8226 compared to VP-16, and they have shown more significant antioxidative activities and superior water solubility than VP-16. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.048

文献信息

• Novel semisynthetic spin-labeled derivatives of podophyllotoxin with cytotoxic and antioxidative activity
  作者：Jia-Qiang Zhang、Zhi-Wei Zhang、Ling Hui、Shi-Wu Chen、Xuan Tian

  DOI：10.1016/j.bmcl.2009.12.048

  日期：2010.2

  A series of novel spin-labeled podophyllotoxin derivatives were synthesized by reacting the corresponding N-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyloxy carbonyl)-amino acids with 4 beta-amino-4'-demethylepipodophyllotoxin. The synthesized derivatives 12a-g were evaluated for the partition coefficients, cytotoxicities in vitro against three tumor cell lines (A-549, HL-60, and RPMI-8226) and antioxidative activities in tissues of SD rats by the TBA method. The vast majority of target compounds have shown superior or comparable activities against A-549, HL-60, and RPMI-8226 compared to VP-16, and they have shown more significant antioxidative activities and superior water solubility than VP-16. (c) 2009 Elsevier Ltd. All rights reserved.