| 202406-34-6

• 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: 202406-34-6
• 化学式: C₂₆H₃₄Cl₃NO₁₆
• 分子量: 722.912
• InChiKey: MEWXGYGKAUAPBU-YTRQKZPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.43
• 重原子数：
  46.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  218.57
• 氢给体数：
  1.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 、 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 、 异丙醇 为溶剂， 反应 50.0h， 生成
  参考文献：
  名称：

  Synthesis and antitumor activity of 5,6-dihydro-17-hydroxy icogenin analogs

  摘要：

  Four 5,6-dihydro-17-hydroxy icogenin analogs were designed and synthesized. Their in vitro antitumor activities were tested by the standard MTT assay. Compound 22 (IC50 = 3.38-8.30 mu M) and compound 23 (IC50 = 1.90-9.69 mu M) showed potential antitumor activities against the entire tested seven cancer cell lines. The SAR (structure activity relationship) research showed that the introduction of 17-hydroxy lowered the antitumor activity to an extent. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.02.043

文献信息

• Synthesis of 5(6)-dihydro-OSW-1 analogs bearing three kinds of disaccharides linking at 15-hydroxy and their antitumor activities
  作者：Yuyao Guan、Dan Zheng、Liang Zhou、Haixing Wang、Zheng Yan、Nan Wang、Hong Chang、Pingping She、Pingsheng Lei

  DOI：10.1016/j.bmcl.2011.03.065

  日期：2011.5

  In order to study the SAR of 5(6)-dihydro-OSW-1, eight 15(alpha)beta-O-glycosyl analogs (26-33) carrying three kinds of disaccharides including [beta-D-Xylp-(1-3)-alpha-L-Arap], [beta-D-Xylp-(1-4)-alpha-L-Arap] and [alpha-L-Rhap-(1-2)-(alpha)beta-D-Glcp] were designed and synthesized. Their in vitro antitumor activities were tested by the standard MTT assay which disclosed that compound 33 (IC50 = 0.28-0.52 mu M) showed potential antitumor activities. (C) 2011 Elsevier Ltd. All rights reserved.