2-oxohexahydropyrimidine-4-carboxylic acid | 85701-35-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-oxohexahydropyrimidine-4-carboxylic acid
• 英文别名: (S)-2-oxo-hexahydro-pyrimidine-4-carboxylic acid；(S)-2-Oxo-hexahydro-pyrimidin-4-carbonsaeure；(4S)-2-oxo-1,3-diazinane-4-carboxylic acid
• CAS: 85701-35-5
• 化学式: C₅H₈N₂O₃
• 分子量: 144.13
• InChiKey: QLEDTTCUFILTKL-VKHMYHEASA-N

物化性质

• 沸点：
  528.3±43.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甘氨酰-L-异亮氨酸 、 2-oxohexahydropyrimidine-4-carboxylic acid 在 N-羟基丁二酰亚胺 、 碳酸氢钠 、 N,N'-二环己基碳二亚胺 作用下， 生成 hexahydro-2-oxopyrimidinyl-4-carbonyl-Gly-Ile
  参考文献：
  名称：

  Substrate specificity of pyroglutamylaminopeptidase

  摘要：

  Three synthetic peptides (compounds 4-6) were tested as substrates of pyroglutamylaminopeptidase. In addition, inhibition of the hydrolysis of these substrates by compounds 8 and 9 was also examined. The enzyme does not appreciably catalyze the hydrolysis of peptides with six-membered ureido rings at the amino terminus, but it tolerates well a five-membered ureido ring at this position.

  DOI：

  10.1021/jm00379a024
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 barium dihydroxide 、 溴 作用下， 生成 2-oxohexahydropyrimidine-4-carboxylic acid
  参考文献：
  名称：

  Ohira, Nippon Nōgeikagaku Kaishi, 1942, vol. 18, p. 915,917

  摘要：

  DOI：

文献信息

• Ohira, Journal of the Agricultural Chemical Society of Japan, 1942, vol. 18, p. 74
  作者：Ohira

  DOI：——

  日期：——
• Substrate specificity of pyroglutamylaminopeptidase
  作者：John T. Capecchi、Gordon Marc Loudon

  DOI：10.1021/jm00379a024

  日期：1985.1

  Three synthetic peptides (compounds 4-6) were tested as substrates of pyroglutamylaminopeptidase. In addition, inhibition of the hydrolysis of these substrates by compounds 8 and 9 was also examined. The enzyme does not appreciably catalyze the hydrolysis of peptides with six-membered ureido rings at the amino terminus, but it tolerates well a five-membered ureido ring at this position.
• Ohira, Nippon Nōgeikagaku Kaishi, 1942, vol. 18, p. 915,917
  作者：Ohira

  DOI：——

  日期：——