7,8-dihydroxy-4-methyl-3-phenyl-coumarin | 859740-03-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 7,8-dihydroxy-4-methyl-3-phenyl-coumarin
• 英文别名: 7,8-Dihydroxy-4-methyl-3-phenyl-cumarin；7,8-Dihydroxy-4-methyl-3-phenylchromen-2-one
• CAS: 859740-03-7
• 化学式: C₁₆H₁₂O₄
• 分子量: 268.269
• InChiKey: KQUFILYVXCFADR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7,8-dihydroxy-4-methyl-3-phenyl-coumarin 、 硫酸二甲酯 在 sodium hydroxide 作用下， 生成 7,8-dimethoxy-4-methyl-3-phenyl-coumarin
  参考文献：
  名称：

  Bargellini, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1925, vol. <6>2, p. 180

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium phenylacetate 在 硫酸 、 乙酸酐 作用下， 生成 7,8-dihydroxy-4-methyl-3-phenyl-coumarin
  参考文献：
  名称：

  Bargellini, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1925, vol. <6>2, p. 180

  摘要：

  DOI：

文献信息

• Ghosh, Journal of the Chemical Society, 1916, vol. 109, p. 117
  作者：Ghosh

  DOI：——

  日期：——
• Jacobson; Ghosh, Journal of the Chemical Society, 1915, vol. 107, p. 1055
  作者：Jacobson、Ghosh

  DOI：——

  日期：——
• Inhibition of T24 and RT4 Human Bladder Cancer Cell Lines by Heterocyclic Molecules
  作者：Zhi-Feng Zhao、Kai Wang、Feng-Fu Guo、Hua Lu

  DOI：10.12659/msm.898265

  日期：——

  Background: Bladder cancer is a major widespread tumor of the genitourinary tract. Around 30% of patients with superficial cancers develop invasive and metastatic pathology.Material/Methods: Some new heterocyclic 4-methyl coumarin derivatives were designed using molecular modeling studies to evaluate their potential against bladder cancer lines T24 and RT-4. The designed compounds that showed good binding affinity to T24 and RT4 were synthesized, with excellent yield. The synthesized compounds after structural evaluation were further evaluated for their antiproliferative activity by cell viability assay, cell cycle analysis, and apoptosis assay.Results: The compound BC-14 exhibited the best cytotoxicity against T24 cells, but were not highly active against RT4 cells.Conclusions: The results of the present study may suggest the selectivity pattern of the synthesized compounds. These results should be explored further with chemical modification for other cancer types.
• Chakravarti, Journal of the Indian Chemical Society, 1935, vol. 12, p. 536,539
  作者：Chakravarti

  DOI：——

  日期：——