7-phenyl-9-methyl-pyrido[3',2':4,5]thieno[3,2-d]-pyrimidine-4(3H)-one | 145916-77-4

• 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: 7-phenyl-9-methyl-pyrido[3',2':4,5]thieno[3,2-d]-pyrimidine-4(3H)-one
• 英文别名: 9-methyl-7-phenyl-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one；9-Methyl-7-phenylpyrido<3',2'-4,5>thieno<3,2-d>pyrimid-4-on；13-Methyl-11-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one；13-methyl-11-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
• CAS: 145916-77-4
• 化学式: C₁₆H₁₁N₃OS
• 分子量: 293.349
• InChiKey: ZWOONDSRQPGKRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  82.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-phenyl-9-methyl-pyrido[3',2':4,5]thieno[3,2-d]-pyrimidine-4(3H)-one 在 三氯氧磷 作用下， 以57%的产率得到4-Chloro-9-methyl-7-phenyl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
  参考文献：
  名称：

  Vieweg; Bohm; Krasselt, Pharmazie, 1992, vol. 47, # 10, p. 751 - 754

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl (3-cyano-6-phenyl-4-methylpyridinylthio)acetate 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 8.5h， 生成 7-phenyl-9-methyl-pyrido[3',2':4,5]thieno[3,2-d]-pyrimidine-4(3H)-one
  参考文献：
  名称：

  Synthesis of Novel Heterocyclic Compounds for Antitumor and Radioprotective Activities

  摘要：

  Some novel pyridothienoxazine (5); pyridothienopyrmidines (6), (8), (9), (14); pyridothienoimidazole (16); isothiazolopyridine (17), and pyridoisothiazolopyrimidines (18-20) were synthesized. The structural assignment of the prepared compounds were based on microanalytical and spectroscopic evidences. Some prepared compounds were tested in vitro for their antitumor and radioprotective activities. Compounds (7), (12), (17) and (19) showed significant activities against EAC cells, at a concentration of 250 mug/ml; while the isothiazolopyridine (17) exhibited radioprotective activity.

  DOI：

  10.1080/10426509808545486

文献信息

• Synthesis of Novel Heterocyclic Compounds for Antitumor and Radioprotective Activities
  作者：M.-M. Ghorab、A.-Y. Hassan、O.-M. Nassar

  DOI：10.1080/10426509808545486

  日期：1998.2.1

  Some novel pyridothienoxazine (5); pyridothienopyrmidines (6), (8), (9), (14); pyridothienoimidazole (16); isothiazolopyridine (17), and pyridoisothiazolopyrimidines (18-20) were synthesized. The structural assignment of the prepared compounds were based on microanalytical and spectroscopic evidences. Some prepared compounds were tested in vitro for their antitumor and radioprotective activities. Compounds (7), (12), (17) and (19) showed significant activities against EAC cells, at a concentration of 250 mug/ml; while the isothiazolopyridine (17) exhibited radioprotective activity.
• Vieweg; Bohm; Krasselt, Pharmazie, 1992, vol. 47, # 10, p. 751 - 754
  作者：Vieweg、Bohm、Krasselt、Leistner、Wagner

  DOI：——

  日期：——