1,2,4-苯并三嗪,1,2-二氢-7-甲基-1-苯基- | 97782-03-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,2,4-苯并三嗪,1,2-二氢-7-甲基-1-苯基-
• 中文别名: 2-氨基间型霉素
• 英文名称: 5,7-diamino-(3-β-D-ribofuranosyl)pyrazolo<4,3-d>pyrimidine
• 英文别名: 2-Amino-formycin A；2-Aminoformycin；(2S,3R,4S,5R)-2-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• CAS: 97782-03-1
• 化学式: C₁₀H₁₄N₆O₄
• 分子量: 282.259
• InChiKey: WQBFKZKPIQCPJO-UOQNBVRUSA-N

物化性质

• 沸点：
  834.8±75.0 °C(Predicted)
• 密度：
  1.842±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  176
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1,2,4-苯并三嗪,1,2-二氢-7-甲基-1-苯基- 在 吡啶 、 亚硝酸特丁酯 、 氢氟酸 作用下， 反应 2.0h， 以19%的产率得到N-(4-氯-2,5-二甲氧苯基)-3-羟基-7-甲氧基萘-2-甲酰胺酸钠
  参考文献：
  名称：

  2-Fluoroformycin and 2-aminoformycin. Synthesis and biological activity

  摘要：

  Syntheses of 2-fluoroformycin [7-amino-5-fluoro-3-(beta-D-ribofuranosyl)pyrazolo[4,3-d]pyrimidine] (2b) and 2-aminoformycin [5,7-diamino-3-(beta-D-ribofuranosyl)pyrazolo[4,3-d]pyrimidine] (2c) are described. Cytotoxicity data are given for 2b and 2c alone as well as with added pentostatin. Kinetic parameters for adenosine deaminase are also provided. 2-Fluoroformycin, although a much poorer substrate for adenosine deaminase than formycin A, is not nearly as cytotoxic to cells in culture.

  DOI：

  10.1021/jm00149a033
• 作为产物：
  描述：

  5-amino-3-(β-D-ribofuranosyl)-1H-pyrazolo<4,3-d>pyrimidin-7(6H)-one 在 吡啶 、 四乙基氯化铵 、 乙酸酐 、 N,N-二甲基苯胺 、 ammonia ethanol adduct 、 三氯氧磷 作用下， 生成 1,2,4-苯并三嗪,1,2-二氢-7-甲基-1-苯基-
  参考文献：
  名称：

  2-Fluoroformycin and 2-aminoformycin. Synthesis and biological activity

  摘要：

  Syntheses of 2-fluoroformycin [7-amino-5-fluoro-3-(beta-D-ribofuranosyl)pyrazolo[4,3-d]pyrimidine] (2b) and 2-aminoformycin [5,7-diamino-3-(beta-D-ribofuranosyl)pyrazolo[4,3-d]pyrimidine] (2c) are described. Cytotoxicity data are given for 2b and 2c alone as well as with added pentostatin. Kinetic parameters for adenosine deaminase are also provided. 2-Fluoroformycin, although a much poorer substrate for adenosine deaminase than formycin A, is not nearly as cytotoxic to cells in culture.

  DOI：

  10.1021/jm00149a033

文献信息

• 2-Fluoroformycin and 2-aminoformycin. Synthesis and biological activity
  作者：John A. Secrist、Anita T. Shortnacy、John A. Montgomery

  DOI：10.1021/jm00149a033

  日期：1985.11

  Syntheses of 2-fluoroformycin [7-amino-5-fluoro-3-(beta-D-ribofuranosyl)pyrazolo[4,3-d]pyrimidine] (2b) and 2-aminoformycin [5,7-diamino-3-(beta-D-ribofuranosyl)pyrazolo[4,3-d]pyrimidine] (2c) are described. Cytotoxicity data are given for 2b and 2c alone as well as with added pentostatin. Kinetic parameters for adenosine deaminase are also provided. 2-Fluoroformycin, although a much poorer substrate for adenosine deaminase than formycin A, is not nearly as cytotoxic to cells in culture.