4-amino-6-benzyl-1-[(2-hydroxyethoxy)methyl]-(5H)-imidazo[4,5-c]-1,2,6-thiadiazine 2,2-dioxide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-amino-6-benzyl-1-[(2-hydroxyethoxy)methyl]-(5H)-imidazo[4,5-c]-1,2,6-thiadiazine 2,2-dioxide
• 英文别名: 2-[(4-amino-6-benzyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-1-yl)methoxy]ethanol
• 化学式: C₁₄H₁₇N₅O₄S
• 分子量: 351.386
• InChiKey: XEAQRKNBOACLAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  Acetic acid 2-(4-amino-6-benzyl-2,2-dioxo-2,5-dihydro-2λ⁶-imidazo[4,5-c][1,2,6]thiadiazin-1-ylmethoxy)-ethyl ester 在 Candida antarctica lipase 作用下， 以 叔丁醇 为溶剂， 以95%的产率得到4-amino-6-benzyl-1-[(2-hydroxyethoxy)methyl]-(5H)-imidazo[4,5-c]-1,2,6-thiadiazine 2,2-dioxide
  参考文献：
  名称：

  Imidazothiadiazine dioxides: synthesis and antiviral activity

  摘要：

  A new series of imidazothiadiazine dioxides, including the first acyclonucleosides derived from this heterocycle moiety, has been synthesized. A wide-spectrum antiviral screening was performed. Some of the N-1 benzyl imidazothiadiazines and the new acyclonucleosides showed interesting anti-CMV or anti-HIV activity. These structures could be considered as new lead compounds for antiviral drug research. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00114-5

文献信息

• Imidazothiadiazine dioxides: synthesis and antiviral activity
  作者：Ana Martı́nez、Ana I Esteban、Angela Herrero、Carmen Ochoa、Graciela Andrei、Robert Snoeck、Jan Balzarini、Erik De Clercq

  DOI：10.1016/s0968-0896(99)00114-5

  日期：1999.8

  A new series of imidazothiadiazine dioxides, including the first acyclonucleosides derived from this heterocycle moiety, has been synthesized. A wide-spectrum antiviral screening was performed. Some of the N-1 benzyl imidazothiadiazines and the new acyclonucleosides showed interesting anti-CMV or anti-HIV activity. These structures could be considered as new lead compounds for antiviral drug research. (C) 1999 Elsevier Science Ltd. All rights reserved.