(2S,3R)-hepta-4,6-diyne-2,3-diol | 1186407-63-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2S,3R)-hepta-4,6-diyne-2,3-diol
• CAS: 1186407-63-5
• 化学式: C₇H₈O₂
• 分子量: 124.139
• InChiKey: HCZNDDDSXXMRST-NKWVEPMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  环己酮二甲缩酮 、 (2S,3R)-hepta-4,6-diyne-2,3-diol 在 4-甲基苯磺酸吡啶 作用下， 以 二氯甲烷 为溶剂， 以77%的产率得到
  参考文献：
  名称：

  SAR studies of gymnasterkoreayne derivatives with cancer chemopreventive activities

  摘要：

  We synthesized diyne triols based on gymnasterkoreayne and evaluated their cancer chemopreventive activities in terms of the chemopreventive index (CI) to reveal the structure-activity relationship, and discovered more active compounds than natural diynes. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.07.066
• 作为产物：
  描述：

  (2S,3R)-2-((tert-butyldimethylsilyl)oxy)-7-(trimethylsilyl)hepta-4,6-diyn-3-ol 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到(2S,3R)-hepta-4,6-diyne-2,3-diol
  参考文献：
  名称：

  SAR studies of gymnasterkoreayne derivatives with cancer chemopreventive activities

  摘要：

  We synthesized diyne triols based on gymnasterkoreayne and evaluated their cancer chemopreventive activities in terms of the chemopreventive index (CI) to reveal the structure-activity relationship, and discovered more active compounds than natural diynes. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.07.066

文献信息

• SAR studies of gymnasterkoreayne derivatives with cancer chemopreventive activities
  作者：Dongyun Shin、Jung-Eun Yang、Saet Byoul Lee、Chu Won Nho

  DOI：10.1016/j.bmcl.2010.07.066

  日期：2010.12

  We synthesized diyne triols based on gymnasterkoreayne and evaluated their cancer chemopreventive activities in terms of the chemopreventive index (CI) to reveal the structure-activity relationship, and discovered more active compounds than natural diynes. (C) 2010 Published by Elsevier Ltd.