3-((1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-1H-1,2,3-triazol-4-yl)methyl)-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-4(3H)-one | 1314535-13-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-((1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-1H-1,2,3-triazol-4-yl)methyl)-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-4(3H)-one
• 英文别名: 3-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)triazol-4-yl]methyl]-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
• CAS: 1314535-13-1
• 化学式: C₂₈H₁₆F₂₀N₆O
• 分子量: 832.443
• InChiKey: WTGDUQYSHMIUTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  55
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  76.3
• 氢给体数：
  0
• 氢受体数：
  25

反应信息

• 作为产物：
  描述：

  2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-one 在 copper(l) iodide 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 24.0h， 生成 3-((1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-1H-1,2,3-triazol-4-yl)methyl)-2-methyl-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-4(3H)-one
  参考文献：
  名称：

  Synthesis of novel alkyltriazole tagged pyrido[2,3-d]pyrimidine derivatives and their anticancer activity

  摘要：

  A series of novel alkyltriazole tagged pyrido[2,3-d]pyrimidine derivatives 5 and 6 was prepared starting from 2,3-active functional pyridine 1 via cyclization, propargylation followed by reaction with alkyl or perfluoroalkyl azides under Sharpless conditions. All the compounds 5 and 6 were screened for anticancer activity against three cancer cell lines such as U-937, THP-1 and Colo205. The promising compounds 5b and Se have been identified. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.05.011

文献信息

• Synthesis of novel alkyltriazole tagged pyrido[2,3-d]pyrimidine derivatives and their anticancer activity
  作者：C. Kurumurthy、P. Sambasiva Rao、B. Veera swamy、G. Santhosh kumar、P. Shanthan Rao、B. Narsaiah、L.R. Velatooru、R. Pamanji、J. Venkateswara Rao

  DOI：10.1016/j.ejmech.2011.05.011

  日期：2011.8

  A series of novel alkyltriazole tagged pyrido[2,3-d]pyrimidine derivatives 5 and 6 was prepared starting from 2,3-active functional pyridine 1 via cyclization, propargylation followed by reaction with alkyl or perfluoroalkyl azides under Sharpless conditions. All the compounds 5 and 6 were screened for anticancer activity against three cancer cell lines such as U-937, THP-1 and Colo205. The promising compounds 5b and Se have been identified. (C) 2011 Elsevier Masson SAS. All rights reserved.