| 885224-23-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• CAS: 885224-23-7
• 化学式: C₂₁H₂₈INO₄
• 分子量: 485.362
• InChiKey: CIYJLOWGPWHGKX-UXBLZVDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.55
• 重原子数：
  27.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  51.91
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 45,46-dehydrobromo-phorboxazole A 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.08h， 以82%的产率得到(1R,6E,9R,11R,12R,13S,16Z,19S,23R,25S,27R,31S)-11-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,10E)-12-[2-[3-[7-(diethylamino)-2-oxochromen-4-yl]propoxy]ethoxy]-1-hydroxy-6-methoxy-3-methyldodeca-2,4,10-trien-8-ynyl]-2-hydroxy-4-methoxyoxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-27-hydroxy-12,31-dimethyl-21-methylidene-4,10,14,29,30-pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-15-one
  参考文献：
  名称：

  Phorboxazole Analogues Induce Association of cdk4 with Extranuclear Cytokeratin Intermediate Filaments

  摘要：

  The cellular localization profile and molecular association of the phorboxazoles were examined with a streamlined target elucidation system using synthetic fluorescent probes. Cellular image analyses identified the binding of phorboxazole analogues to cytosolic components. Proteomic analysis directed at fluorescently labeled cytosolic fractions indicated that the primary targets observed microscopically were cytokeratins, as verified by determination of low nanomolar binding to cloned and expressed proteins. Phorboxazole probes localized the essential cell cycle promoter cdk4 upon cytokeratin networks.

  DOI：

  10.1021/ja057087e
• 作为产物：
  描述：

  三乙二醇 在 咪唑 、 chromium dichloride 、 六甲基磷酰三胺 、 正丁基锂 、 tetra-n-propylammonium perruthenate. 、 4 A molecular sieve 、 碘 、 N-甲基吗啉氧化物 、 三苯基膦 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 二氯甲烷 为溶剂， 反应 2.33h， 生成
  参考文献：
  名称：

  Phorboxazole Analogues Induce Association of cdk4 with Extranuclear Cytokeratin Intermediate Filaments

  摘要：

  The cellular localization profile and molecular association of the phorboxazoles were examined with a streamlined target elucidation system using synthetic fluorescent probes. Cellular image analyses identified the binding of phorboxazole analogues to cytosolic components. Proteomic analysis directed at fluorescently labeled cytosolic fractions indicated that the primary targets observed microscopically were cytokeratins, as verified by determination of low nanomolar binding to cloned and expressed proteins. Phorboxazole probes localized the essential cell cycle promoter cdk4 upon cytokeratin networks.

  DOI：

  10.1021/ja057087e