1-[(4-Methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea | 1408240-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 1-[(4-Methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
• 英文别名: 1-[(4-methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
• CAS: 1408240-61-8
• 化学式: C₁₇H₁₆N₄O₃
• 分子量: 324.339
• InChiKey: JEOGCECZPFTDGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氧-4H-吡啶[1,2-A]嘧啶-3-羧酸氢溴酸盐 在 sodium azide 、 氯甲酸乙酯 、 三乙胺 作用下， 以 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 8.25h， 生成 1-[(4-Methoxyphenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
  参考文献：
  名称：

  Pyrido[1,2-a]pyrimidin-4-ones as antiplasmodial falcipain-2 inhibitors

  摘要：

  Plasmodium falciparum cysteine protease falcipain-2 (FP-2) is a promising target for antimalarial chemotherapy and inhibition of this protease affects the growth of parasite adversely. A series of pyrido[1,2-a]pyrimidin-4-ones were synthesized and evaluated for their in vitro FP-2 inhibitory potential. Compounds (14,17) showed excellent FP-2 inhibition and can serve as lead compounds for further development of potent FP-2 inhibitors as potential antimalarial drugs. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.09.008

文献信息

• Pyrido[1,2-a]pyrimidin-4-ones as antiplasmodial falcipain-2 inhibitors
  作者：U.R. Mane、H. Li、J. Huang、R.C. Gupta、S.S. Nadkarni、R. Giridhar、P.P. Naik、M.R. Yadav

  DOI：10.1016/j.bmc.2012.09.008

  日期：2012.11

  Plasmodium falciparum cysteine protease falcipain-2 (FP-2) is a promising target for antimalarial chemotherapy and inhibition of this protease affects the growth of parasite adversely. A series of pyrido[1,2-a]pyrimidin-4-ones were synthesized and evaluated for their in vitro FP-2 inhibitory potential. Compounds (14,17) showed excellent FP-2 inhibition and can serve as lead compounds for further development of potent FP-2 inhibitors as potential antimalarial drugs. (C) 2012 Elsevier Ltd. All rights reserved.