4,10-Dimethyl-2-oxo-1,2-dihydro-[1,7]phenanthroline-9-carboxylic acid | 561321-10-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 4,10-Dimethyl-2-oxo-1,2-dihydro-[1,7]phenanthroline-9-carboxylic acid
• 英文别名: 4,10-dimethyl-2-oxo-1H-1,7-phenanthroline-9-carboxylic acid
• CAS: 561321-10-6
• 化学式: C₁₅H₁₂N₂O₃
• 分子量: 268.272
• InChiKey: CLBNKDVBVZWNEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  79.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,10-Dimethyl-2-oxo-1,2-dihydro-[1,7]phenanthroline-9-carboxylic acid 在 氯化亚砜 作用下， 反应 12.0h， 生成
  参考文献：
  名称：

  Synthesis and bioactivity of 4,10-dimethyl-pyridino[2,3-h]quinolin-2(1H)-one-9-carboxylic acid and its esters

  摘要：

  4,10-Dimethyl-pyridino[2,3-h]quinolin-2(1H)-one-9-carboxylic acid (1) was synthesized by a new approach via the key intermediate 7-[1-aza-2-(dimethylamino)vinyl]-4-methylquinolin-2(1H)-one (4). Compound I and its esters were evaluated in cytotoxicity and anti-HIV assays. The 9-carboxyl (1s)-endo-(-)-borneol ester (9) showed marginal cytotoxic activity in CAK 1-1, HOS, KB, and HCT-8 cells. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00526-6
• 作为产物：
  描述：

  喹诺酮 124 在 盐酸 、 sodium hydroxide 、 三乙胺 、 三氯氧磷 作用下， 以 1,4-二氧六环 为溶剂， 反应 100.0h， 生成 4,10-Dimethyl-2-oxo-1,2-dihydro-[1,7]phenanthroline-9-carboxylic acid
  参考文献：
  名称：

  Synthesis and bioactivity of 4,10-dimethyl-pyridino[2,3-h]quinolin-2(1H)-one-9-carboxylic acid and its esters

  摘要：

  4,10-Dimethyl-pyridino[2,3-h]quinolin-2(1H)-one-9-carboxylic acid (1) was synthesized by a new approach via the key intermediate 7-[1-aza-2-(dimethylamino)vinyl]-4-methylquinolin-2(1H)-one (4). Compound I and its esters were evaluated in cytotoxicity and anti-HIV assays. The 9-carboxyl (1s)-endo-(-)-borneol ester (9) showed marginal cytotoxic activity in CAK 1-1, HOS, KB, and HCT-8 cells. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00526-6