5-羟基甲基-2-甲基嘧啶-4-醇 | 698-30-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-羟基甲基-2-甲基嘧啶-4-醇
• 中文别名: 5-羟甲基-2-甲基嘧啶-4-醇
• 英文名称: 4-Hydroxy-5-hydroxymethyl-2-methyl-pyrimidin
• 英文别名: 5-(Hydroxymethyl)-2-methylpyrimidin-4-OL；5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one
• CAS: 698-30-6
• 化学式: C₆H₈N₂O₂
• mdl: MFCD08704419
• 分子量: 140.142
• InChiKey: ATTZFOQANXUZIP-UHFFFAOYSA-N

物化性质

• 熔点：
  215 °C
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  5-羟基甲基-2-甲基嘧啶-4-醇 在 氢溴酸 、 溶剂黄146 作用下， 生成 羟基硫胺素盐酸盐
  参考文献：
  名称：

  Use of Muscle Functional Magnetic Resonance Imaging With Older Individuals

  摘要：

  Muscle functional magnetic resonance imaging (mfMRI) has been widely used to study muscle recruitment in exercise in young healthy subjects, but has not been validated or used with older subjects. This study validates and demonstrates the use of mfMRI in older subjects. Subjects consisted of apparently healthy sedentary younger (n = 7) and older (n = 6) women. Proton transverse relaxation (T2)-weighted MRI scans were obtained of the quadriceps femoris at rest and immediately following three bouts of knee extension exercise (50%, 75%, and 100% of untrained 5 x 10 repetition maximum [RM]). Older subjects performed knee extension training for 12 weeks and repeated the MRI scan protocol using the same absolute loads. Training induced a 13% increase in 1 RM and a 25% increase in 5 x 10 RM. Older subjects had higher resting T2 values compared with younger subjects; however, the T2 response to exercise (slope) was similar among groups (young = 0.063 +/- 0.003, older untrained = 0.055 +/- 0.011, older trained = 0.053 +/- 0.008; p > .05). In all cases, T2 increased Linearly with load. Trained older subjects showed a lower T2 response when lifting the same absolute load compared with before training, which is consistent with results previously obtained from young subjects. In the older population, mfMRI is appropriate for use and offers benefits over other technologies.

  DOI：

  10.1093/gerona/55.10.b504
• 作为产物：
  描述：

  (2-methyl-6-oxo-1,6-dihydro-pyrimidin-5-yl)-acetic acid hydrazide 在 盐酸 、 水 、 sodium nitrite 作用下， 生成 5-羟基甲基-2-甲基嘧啶-4-醇
  参考文献：
  名称：

  Studies on Pyrimidines. I. The Preparation of 2-Methyl-6-oxypyrimidine-5-acetic Acid and Some of its Derivatives

  摘要：

  DOI：

  10.1021/ja01288a044

文献信息

• Thiamine biosynthesis in yeast—evaluation of 4-hydroxy-5-hydroxymethyl-2-methylpyrimidine as a precursor
  作者：Robert L. Baxter、A. Bryan Hartley、Henry W. S. Chan

  DOI：10.1039/p19900002963

  日期：——

  The putative role of 4-hydroxy-5-hydroxymethyl-2-methylpyrimidine 2 as a late precursor in the biosynthesis of thiamine 1 by Saccharomyces cerevisiae has been examined using the deuteriated derivative 2a. To enable measurement of deuterium incorporation into the pyrimidine ring fragment of 1, a procedure for the degradation of 1 to the aniline derivative 6 using thiaminase I from Bacillus thiaminolyticus

  4-羟基-5-羟甲基-2-甲基嘧啶的推定作用2中的硫胺生物合成后期的前体1由酿酒酵母一直使用氘代衍生物检查2a中。为了能够测量氘掺入1的嘧啶环片段中，已经开发了使用来自解氨化芽孢杆菌的硫胺素I将1降解为苯胺衍生物6的方法。虽然将4-氨基-2-甲基-5-羟基[ 2 H 1 ]甲基嘧啶3a掺入硫胺素中，但氘是由羟基嘧啶制成的2a未明显结合，表明化合物2的胺化不是嘧啶环生物合成的后期步骤。
• Matsukawa, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1942, vol. 62, p. 417,443;dtsch.Ref.S.122,125
  作者：Matsukawa

  DOI：——

  日期：——
• Todd et al., Journal of the Chemical Society, 1936, p. 1601,1604
  作者：Todd et al.

  DOI：——

  日期：——
• BAXTER, ROBERT L.;HANLEY, A. BRYAN;CHAN, HENRY W. S., J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N1, C. 2963-2966
  作者：BAXTER, ROBERT L.、HANLEY, A. BRYAN、CHAN, HENRY W. S.

  DOI：——

  日期：——
• Use of Muscle Functional Magnetic Resonance Imaging With Older Individuals
  作者：L. L. Ploutz-Snyder、E. L. Yackel-Giamis、A. E. Rosenbaum、M. Formikell

  DOI：10.1093/gerona/55.10.b504

  日期：2000.10.1

  Muscle functional magnetic resonance imaging (mfMRI) has been widely used to study muscle recruitment in exercise in young healthy subjects, but has not been validated or used with older subjects. This study validates and demonstrates the use of mfMRI in older subjects. Subjects consisted of apparently healthy sedentary younger (n = 7) and older (n = 6) women. Proton transverse relaxation (T2)-weighted MRI scans were obtained of the quadriceps femoris at rest and immediately following three bouts of knee extension exercise (50%, 75%, and 100% of untrained 5 x 10 repetition maximum [RM]). Older subjects performed knee extension training for 12 weeks and repeated the MRI scan protocol using the same absolute loads. Training induced a 13% increase in 1 RM and a 25% increase in 5 x 10 RM. Older subjects had higher resting T2 values compared with younger subjects; however, the T2 response to exercise (slope) was similar among groups (young = 0.063 +/- 0.003, older untrained = 0.055 +/- 0.011, older trained = 0.053 +/- 0.008; p > .05). In all cases, T2 increased Linearly with load. Trained older subjects showed a lower T2 response when lifting the same absolute load compared with before training, which is consistent with results previously obtained from young subjects. In the older population, mfMRI is appropriate for use and offers benefits over other technologies.