6-carboxyethyl-2,5-dimethyl-3-(N-amino)-thieno[2,3-d]pyrimidin-4-one | 300573-77-7

• 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: 6-carboxyethyl-2,5-dimethyl-3-(N-amino)-thieno[2,3-d]pyrimidin-4-one
• 英文别名: 3-Amino-2,5-dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester；ethyl 3-amino-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
• CAS: 300573-77-7
• 化学式: C₁₁H₁₃N₃O₃S
• mdl: MFCD00703835
• 分子量: 267.309
• InChiKey: CXBRHOAOLFTBPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-乙酰氨基-4-甲基-3,5-噻吩二甲酸二乙酯 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以83%的产率得到6-carboxyethyl-2,5-dimethyl-3-(N-amino)-thieno[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Design and synthesis of 3-pyrazolyl-thiophene, thieno[2,3-d]pyrimidines as new bioactive and pharmacological activities

  摘要：

  Two series of 5-ethyl-2-amino-3-pyrazolyl-4- methylthiophenecarboxylate and 2-thioxo-N-3-aminothieno[ 2,3-d]pyrimidines were prepared from 3,5-diethyl-2-amino-4-methylthio-phenecaboxylate and evaluated as anti-inflammatory, analgesic and ulcerogenic activities. Among the compounds studied, compounds which containing the substituted hydrazide at C-3 position 7, 16, and 17a showed more potent anti-inflammatory and analgesic activities than the standard drug (Indomethacin and Aspirin), along without ulcerogenity. While compounds 2, 5, 9, 10, and 11c showed moderate activities. Some of the newly synthesized compounds have good to excellent antimicrobial activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.071