1,6-Di(cyclohexyl)-hexa-2,4-diin-1,6-diol | 15151-98-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,6-Di(cyclohexyl)-hexa-2,4-diin-1,6-diol
• 英文别名: 1,6-Dicyclohexylhexa-2,4-diyne-1,6-diol
• CAS: 15151-98-1
• 化学式: C₁₈H₂₆O₂
• 分子量: 274.403
• InChiKey: SFJPQZSXLZEPBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,6-dicyclohexyl-6-(tetrahydro-2H-pyran-2-yloxy)hexa-2,4-diyn-1-ol 在 水 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 1,6-Di(cyclohexyl)-hexa-2,4-diin-1,6-diol
  参考文献：
  名称：

  Identification of dialkyl diacetylene diols with potent cancer chemopreventive activity

  摘要：

  An increasing importance of chemoprevention for controlling cancer risks prompted the discovery of new active cancer chemopreventive agents. In this study, we designed and synthesized substituted hexa-2,4-diyne-1,6-diols, more structurally simplified, tunable, and easily preparable than natural gymnasterkoreaynes, and evaluated their cancer chemopreventive activities by measuring concentration of doubling quinone reductase activity (CD), cell viability, and chemopreventive index (CI). Most of the diols exhibited good CD activity and low cytotoxicity. In particular, tetradeca-5,7-diyne-4,9-diol and 2-methyltetradeca-5,7-diyne-4,9-diol showed the best cancer chemopreventive activity, approximately equipotent to that of sulforaphane. And, by synthesizing optically active stereoisomers of selected active compounds, the effect of stereochemistry was also studied. Eventually, we produced a chemopreventive compound for in vivo study. (C) 2015 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2015.05.098

文献信息

• KR101570661
  申请人：——

  公开号：——

  公开（公告）日：——