2-(ethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine | 421575-22-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 2-(ethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
• 英文别名: 2-(Ethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-ylamine；2-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
• CAS: 421575-22-6
• 化学式: C₁₀H₁₃N₃S₂
• 分子量: 239.365
• InChiKey: XPELZXVJOSLJRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  溴乙烷 、 2-(3-Benzoyl-thioureido)-4,5-dimethyl-thiophen-3-carbonitril 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 1.5h， 以51%的产率得到2-(ethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  Analogs of a 4-aminothieno[2,3-d]pyrimidine lead (QB13) as modulators of P-glycoprotein substrate specificity

  摘要：

  P-glycoprotein (P-gp) is an important factor in the development of multidrug resistance (MDR) in cancer cells. In literature reports, a thieno[ 2,3-d] pyrimidine (QB13) was described as P-gp modulator and opposed effects on the cell accumulation of distinct P-gp substrates were postulated. On the basis of this lead structure, a series of 2-alkylthio-4-aminothieno[2,3-d]pyrimidines was prepared and tested in a daunorubicin accumulation assay. Modulation of substrate specificity was shown for selected compounds in cytotoxicity (MTT) assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.023