胍-¹³C,¹⁵N₃盐酸盐 | 285977-73-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 胍-¹³C,¹⁵N₃盐酸盐
• 英文名称: [(15)N3,(13)C]guanidine hydrochloride
• 英文别名: Guanidine-13C,15N3 hydrochloride；(13C)guanidine;hydrochloride
• CAS: 285977-73-3
• 化学式: CH₅N₃*ClH
• 分子量: 99.5006
• InChiKey: PJJJBBJSCAKJQF-UJNKEPEOSA-N

物化性质

• 熔点：
  185-189 °C (lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.74
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.9
• 氢给体数：
  4
• 氢受体数：
  1

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  氰乙酸乙酯 、 胍-¹³C,¹⁵N₃盐酸盐 在 sodium ethanolate 、 sodium nitrate 、 溶剂黄146 、 sodium dithionite 作用下， 以 水 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Simultaneous Determination of Five Oxidative DNA Lesions in Human Urine

  摘要：

  A method, involving a HPLC prepurification followed by a GC/MS analysis, has been set up for the measurement of nucleic acid oxidation products in human urine. For this purpose, isotopically labeled internal standards have been prepared and used for isotope dilution mass spectrometric detection. Using this approach, four oxidized DNA bases, i.e., 5-hydroxyuracil, 5-(hydroxymethyl)uracil, 8-oxo-7,8-dihydroadenine, and 8-oxo-7,8-dihydroguanine, together with 8-oxo-7,8-dihydro-2'-deoxyguanosine have been simultaneously quantified in human urine samples. The levels of the oxidized nucleic acid constituents, as expressed in picomoles per milliliter, were determined to be, in decreasing order: 8-oxo-7,8-dihydroguanine (583 +/- 376) > 5-(hydroxymethyl)uracil (121 +/- 56) > 5-hydroxyuracil (58 +/- 23) > 8-oxo-7,8-dihydro-2'-deoxyguanosine (30 +/- 15) > 8-oxo-7,8-dihydroadenine (7 +/- 4). Attempts to determine the amount of 5,6-dihydroxy-5,6-dihydrothymine, 5-hydroxycytosine, and 2,6-diamino-4-hydroxy-5-formamidopyrimidine using the above HPLC-GC/MS method were unsuccessful.

  DOI：

  10.1021/tx980194k

文献信息

• Simultaneous Determination of Five Oxidative DNA Lesions in Human Urine
  作者：Jean-Luc Ravanat、Pascale Guicherd、Zorana Tuce、Jean Cadet

  DOI：10.1021/tx980194k

  日期：1999.9.1

  A method, involving a HPLC prepurification followed by a GC/MS analysis, has been set up for the measurement of nucleic acid oxidation products in human urine. For this purpose, isotopically labeled internal standards have been prepared and used for isotope dilution mass spectrometric detection. Using this approach, four oxidized DNA bases, i.e., 5-hydroxyuracil, 5-(hydroxymethyl)uracil, 8-oxo-7,8-dihydroadenine, and 8-oxo-7,8-dihydroguanine, together with 8-oxo-7,8-dihydro-2'-deoxyguanosine have been simultaneously quantified in human urine samples. The levels of the oxidized nucleic acid constituents, as expressed in picomoles per milliliter, were determined to be, in decreasing order: 8-oxo-7,8-dihydroguanine (583 +/- 376) > 5-(hydroxymethyl)uracil (121 +/- 56) > 5-hydroxyuracil (58 +/- 23) > 8-oxo-7,8-dihydro-2'-deoxyguanosine (30 +/- 15) > 8-oxo-7,8-dihydroadenine (7 +/- 4). Attempts to determine the amount of 5,6-dihydroxy-5,6-dihydrothymine, 5-hydroxycytosine, and 2,6-diamino-4-hydroxy-5-formamidopyrimidine using the above HPLC-GC/MS method were unsuccessful.