7-(benzyloxy)-2-(4-(benzyloxy)phenyl)-4-(2,4,6-trihydroxy-3,5-(didodecanoyl)-phenyl)chroman | 144337-17-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 7-(benzyloxy)-2-(4-(benzyloxy)phenyl)-4-(2,4,6-trihydroxy-3,5-(didodecanoyl)-phenyl)chroman
• CAS: 144337-17-7
• 化学式: C₅₉H₇₄O₈
• 分子量: 911.232
• InChiKey: GJQIELHKJSEBHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.82
• 重原子数：
  67.0
• 可旋转键数：
  30.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  122.52
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  7-(benzyloxy)-2-(4-(benzyloxy)phenyl)-4-(2,4,6-trihydroxy-3,5-(didodecanoyl)-phenyl)chroman 在 palladium hydroxide on carbon 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.5h， 以47%的产率得到1,1'-{2,4,6-三羟基-5-[7-羟基-2-(4-羟基苯基)-3,4-二氢-2H-色烯-4-基]苯-1,3-二基}二十二烷-1-酮
  参考文献：
  名称：

  Simplified YM-26734 inhibitors of secreted phospholipase A2 group IIA

  摘要：

  Simplified analogs of YM-26734, a known inhibitor of secreted phospholipase A(2) (sPLA(2)) group IIA, were synthesized and found to also display potent inhibition at low nanomolar concentrations. Analogs were based on the didodecanoylphloroglucinol portion of YM-26734 which contains the predicted active site calcium binding group. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.041
• 作为产物：
  描述：

  7-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3,4-dihydro-2H-chromen-4-ol 、 1,1'-(2,4,6-trihydroxy-1,3-phenylene)bis(dodecan-1-one) 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 以11%的产率得到7-(benzyloxy)-2-(4-(benzyloxy)phenyl)-4-(2,4,6-trihydroxy-3,5-(didodecanoyl)-phenyl)chroman
  参考文献：
  名称：

  Simplified YM-26734 inhibitors of secreted phospholipase A2 group IIA

  摘要：

  Simplified analogs of YM-26734, a known inhibitor of secreted phospholipase A(2) (sPLA(2)) group IIA, were synthesized and found to also display potent inhibition at low nanomolar concentrations. Analogs were based on the didodecanoylphloroglucinol portion of YM-26734 which contains the predicted active site calcium binding group. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.041