2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-ylamino)-3-phenylpropionic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-ylamino)-3-phenylpropionic acid
• 英文别名: N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)phenylalanine；2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
• 化学式: C₁₇H₁₇N₃O₂S
• 分子量: 327.407
• InChiKey: ITCLRZBSYTWDRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-ylamino)-3-phenylpropionic acid 在 sodium acetate 、 乙酸酐 作用下， 反应 3.0h， 以88%的产率得到4-Benzyl-11,12-dimethyl-10-thia-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
  参考文献：
  名称：

  Radioprotective and Antitumor Activity of Some Novel Amino Acids and Imidazoles Containing Thieno[2,3-d]pyrimidine Moiety

  摘要：

  A variety of novel thieno[2,3-d]pyrimidine derivatives, comprising amino acids 3a-l, imidazothieno-pyrimidines 4A, 4b-h, and 7, were obtained via the reaction of 4-chloro-5,6-dimethylthieno[2,3-d] pyrimidine 1 with a variety of reagents. The structures of these compounds were confirmed by microanalysis, IR, (1)H NMR, and mass spectrometry. Some of the obtained compounds showed promising radioprotective and antitumor activities.

  DOI：

  10.1080/10426500903126351
• 作为产物：
  描述：

  DL-苯丙氨酸 、 4-氯-5,6-二甲基噻吩[2,3-D]嘧啶 在 sodium carbonate 作用下， 以 水 为溶剂， 反应 6.0h， 以79%的产率得到2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-ylamino)-3-phenylpropionic acid
  参考文献：
  名称：

  Radioprotective and Antitumor Activity of Some Novel Amino Acids and Imidazoles Containing Thieno[2,3-d]pyrimidine Moiety

  摘要：

  A variety of novel thieno[2,3-d]pyrimidine derivatives, comprising amino acids 3a-l, imidazothieno-pyrimidines 4A, 4b-h, and 7, were obtained via the reaction of 4-chloro-5,6-dimethylthieno[2,3-d] pyrimidine 1 with a variety of reagents. The structures of these compounds were confirmed by microanalysis, IR, (1)H NMR, and mass spectrometry. Some of the obtained compounds showed promising radioprotective and antitumor activities.

  DOI：

  10.1080/10426500903126351

文献信息

• Radioprotective and Antitumor Activity of Some Novel Amino Acids and Imidazoles Containing Thieno[2,3-<i>d</i>]pyrimidine Moiety
  作者：Saleh I. Alqasoumi、Fatma A. Ragab、Ahmed M. Alafeefy、Marwa Galal、Mostafa M. Ghorab

  DOI：10.1080/10426500903126351

  日期：2009.11.24

  A variety of novel thieno[2,3-d]pyrimidine derivatives, comprising amino acids 3a-l, imidazothieno-pyrimidines 4A, 4b-h, and 7, were obtained via the reaction of 4-chloro-5,6-dimethylthieno[2,3-d] pyrimidine 1 with a variety of reagents. The structures of these compounds were confirmed by microanalysis, IR, (1)H NMR, and mass spectrometry. Some of the obtained compounds showed promising radioprotective and antitumor activities.