tetraethyl 1-(4-methoxyphenyl)-4-thioxo-3,4-dihydroisoquinoline-3,3-diyldiphosphonate | 1374302-02-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢异喹啉
• 英文名称: tetraethyl 1-(4-methoxyphenyl)-4-thioxo-3,4-dihydroisoquinoline-3,3-diyldiphosphonate
• 英文别名: 3,3-Bis(diethoxyphosphoryl)-1-(4-methoxyphenyl)isoquinoline-4-thione
• CAS: 1374302-02-9
• 化学式: C₂₄H₃₁NO₇P₂S
• 分子量: 539.526
• InChiKey: UDMVWGQDRILTHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-(4-甲氧基苯基)-1H-2,3-苯并恶嗪-1-酮 在 tetraphosphorus decasulfide 、 sodium ethanolate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 为溶剂， 生成 tetraethyl 1-(4-methoxyphenyl)-4-thioxo-3,4-dihydroisoquinoline-3,3-diyldiphosphonate
  参考文献：
  名称：

  Inhibitory effect of novel S,N-bisphosphonates on some carcinoma cell lines, osteoarthritis, and chronic inflammation

  摘要：

  A new series of S,N-bisphosphonate derivatives was synthesized and evaluated as antitumor agents against breast-, cervix-, liver, and colon cancer diseases. Antiarthritic and antichronic inflammatory properties of the new bisphosphonates (BPs) were also investigated. The studies demonstrated an efficient site selective method for making condensation products of BP-derivatives in high yields from thiazinethiones and tetraethyl methylenebisphosphonate reagent. The bioscreening evaluation showed that one of the tested BPs exhibited remarkable antitumor activity against the four tested carcinoma cell lines; nevertheless, all tested S,N-BP-derivatives (11 compounds) showed significant to moderate anti-inflammatory activity and capable of inhibiting polyarthritis. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.02.047

文献信息

• Inhibitory effect of novel S,N-bisphosphonates on some carcinoma cell lines, osteoarthritis, and chronic inflammation
  作者：Azza A. Kamel、Athina Geronikaki、Wafaa M. Abdou

  DOI：10.1016/j.ejmech.2012.02.047

  日期：2012.5

  A new series of S,N-bisphosphonate derivatives was synthesized and evaluated as antitumor agents against breast-, cervix-, liver, and colon cancer diseases. Antiarthritic and antichronic inflammatory properties of the new bisphosphonates (BPs) were also investigated. The studies demonstrated an efficient site selective method for making condensation products of BP-derivatives in high yields from thiazinethiones and tetraethyl methylenebisphosphonate reagent. The bioscreening evaluation showed that one of the tested BPs exhibited remarkable antitumor activity against the four tested carcinoma cell lines; nevertheless, all tested S,N-BP-derivatives (11 compounds) showed significant to moderate anti-inflammatory activity and capable of inhibiting polyarthritis. (C) 2012 Elsevier Masson SAS. All rights reserved.