ethyl 3-amino-2-[(isopropylamino)carbonyl]-3-morpholino-2-propenoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: ethyl 3-amino-2-[(isopropylamino)carbonyl]-3-morpholino-2-propenoate
• 英文别名: ethyl (Z)-3-amino-3-morpholin-4-yl-2-(propan-2-ylcarbamoyl)prop-2-enoate
• 化学式: C₁₃H₂₃N₃O₄
• 分子量: 285.343
• InChiKey: GVYPTHQYHNKPCM-KHPPLWFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  93.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 3-amino-3-morpholinopropenoate 、 异氰酸异丙酯 以 乙腈 为溶剂， 反应 0.5h， 以25%的产率得到ethyl 3-amino-2-[(isopropylamino)carbonyl]-3-morpholino-2-propenoate
  参考文献：
  名称：

  Synthesis and antitumor evaluation of 6-thioxo-, 6-oxo- and 2,4-dioxopyrimidine derivatives

  摘要：

  A series of 6-thioxopyrimidines (5, 6), their 6-oxo- analogs (11-14), and pyrimidine-2,4-diones (20-26), were synthesized and evaluated for their antitumoral activity against 60 tumoral cell lines. The activity of propenethioamide (3, 4) and propeneamide (7-10 and 15-19) intermediates is also reported. Among the tested compounds the thioxopyrimidine 5c, bearing an N-1-benzyl group, showed the best cytostatic activity. Furthermore, high selectivity and cytotoxic activity on the HOP-92 cell line of non-small cell lung cancer was exhibited by 3-amino-2-[(methylamino)thioxamethyl]-3-pyrrolidino-2-propenenitrile (3a). (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01123-5