| 1203705-85-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1203705-85-4
• 化学式: C₂₁H₂₂O₂
• 分子量: 306.404
• InChiKey: RXKBGMINORRLMX-BSIFCXSSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 溴乙酸甲酯 在 2,6-二甲基吡啶 、 silver(l) oxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以25%的产率得到
  参考文献：
  名称：

  Synthesis and anticancer activity of sclerophytin-inspired hydroisobenzofurans

  摘要：

  Three structurally related sets of hydroisobenzofuran analogs of sclerophytin A were prepared in three or four steps from (S)-(+)-carvone via an aldol-cycloaldol sequence. The most potent members of each set of analogs exhibited IC50's of 1-3 mu M in growth inhibitory assays against KB3 cells. The NCI 60-cell line 5-dose assay for analog 6h revealed a GI(50) = 0.148 mu M and LC50 = 9.36 mu M for the RPMI-8226 leukemia cell line, and a GI(50) = 0.552 mu M and LC50 = 26.8 mu M for the HOP-92 non-small cell lung cancer cell line. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.079
• 作为产物：
  描述：

  右旋香芹酮 、 1-萘甲醛 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 6.75h， 以65%的产率得到
  参考文献：
  名称：

  Synthesis and anticancer activity of sclerophytin-inspired hydroisobenzofurans

  摘要：

  Three structurally related sets of hydroisobenzofuran analogs of sclerophytin A were prepared in three or four steps from (S)-(+)-carvone via an aldol-cycloaldol sequence. The most potent members of each set of analogs exhibited IC50's of 1-3 mu M in growth inhibitory assays against KB3 cells. The NCI 60-cell line 5-dose assay for analog 6h revealed a GI(50) = 0.148 mu M and LC50 = 9.36 mu M for the RPMI-8226 leukemia cell line, and a GI(50) = 0.552 mu M and LC50 = 26.8 mu M for the HOP-92 non-small cell lung cancer cell line. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.079