2-[[6,10,12,16,18,22,24-Heptaacetyloxy-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetic acid | 660845-36-3

• 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
• 英文名称: 2-[[6,10,12,16,18,22,24-Heptaacetyloxy-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetic acid
• CAS: 660845-36-3
• 化学式: C₈₈H₁₂₈O₁₇
• 分子量: 1457.97
• InChiKey: DOFYNVKERAKGHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.5
• 重原子数：
  105
• 可旋转键数：
  57
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  231
• 氢给体数：
  1
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  4,7,10-三氧-1,13-十三烷二胺 、 2-[[6,10,12,16,18,22,24-Heptaacetyloxy-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Bolaforms with Fourteen Galactose Units:  A Proposed Site-Directed Cohesion of Cancer Cells

  摘要：

  [GRAPHICS]The multistep synthesis of a calixarene joined to a second calixarene via a long spacer is described. Since each calixarene bears multiple galactose-based units (known to bind strongly to rat hepatoma cells), there existed the possibility of cross-linking the cancer cells into a network. The compounds did not serve this purpose, a fact potentially correctable by adjusting or rigidifying the spacer. Formation of a,"cancer net" around a solid tumor remains a viable approach to retarding growth and/or inhibiting metastasis.

  DOI：

  10.1021/ol030135k
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以96%的产率得到2-[[6,10,12,16,18,22,24-Heptaacetyloxy-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetic acid
  参考文献：
  名称：

  Bolaforms with Fourteen Galactose Units:  A Proposed Site-Directed Cohesion of Cancer Cells

  摘要：

  [GRAPHICS]The multistep synthesis of a calixarene joined to a second calixarene via a long spacer is described. Since each calixarene bears multiple galactose-based units (known to bind strongly to rat hepatoma cells), there existed the possibility of cross-linking the cancer cells into a network. The compounds did not serve this purpose, a fact potentially correctable by adjusting or rigidifying the spacer. Formation of a,"cancer net" around a solid tumor remains a viable approach to retarding growth and/or inhibiting metastasis.

  DOI：

  10.1021/ol030135k