5-氨基戊烷-1,2-二醇 | 375345-20-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-氨基戊烷-1,2-二醇
• 英文名称: 5-amino-1,2-pentanediol
• 英文别名: 1,2-Pentanediol, 5-amino-；5-aminopentane-1,2-diol
• CAS: 375345-20-3
• 化学式: C₅H₁₃NO₂
• mdl: MFCD19205700
• 分子量: 119.164
• InChiKey: OBDADEXGEWOMQI-UHFFFAOYSA-N

物化性质

• 沸点：
  297.5±25.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-氨基戊烷-1,2-二醇 在 溶剂黄146 作用下， 以 二甲基亚砜 、 三乙胺 为溶剂， 反应 7.0h， 生成 N2-(4,5-dihydroxypentyl)deoxyguanosine
  参考文献：
  名称：

  Metabolic Profiling of Chronic Cadmium Exposure in the Rat

  摘要：

  A confounding problem with studying the effects of environmental exposure to contaminants in wild populations is that analytical techniques are invasive, particularly where the physiological effects of the toxin are assessed. In this study, a metabonomic approach to investigate the biochemical effects of chronic oral exposure to environmentally realistic doses of CdCl2 (low, 8 mg/kg; high, 40 mg/kg) is presented. H-1 NMR spectra of urine from exposed animals were analyzed using pattern recognition methods to identify biomarkers for a 94 day exposure period. Creatinuria and both increased excretion and complexation of citrate was detected after 19 days of exposure in both exposure groups. This was accompanied by a decrease in plasma Ca2+/Mg2+ ratio in blood plasma after 94 days. Post mortem, magic angle spinning (MAS) H-1 NMR spectroscopy was used alongside conventional analytical techniques to investigate intact tissue directly. According to atomic absorption sectroscopy, kidney tissue accumulated 26.8 +/- 2.5 mug of Cd2+/g dry wt (low) and 75.9 +/- 4.3 mug of Cd2+/g dry wt (high). Using high-resolution MAS H-1 NMR spectroscopy altered lipid content was detected in kidneys from animals exposed to Cd2+. However, unlike acute exposure, no testicular damage was evident. This systemic approach to metabolism demonstrated the different physiological effects of chronic subacute compared with an acute exposure to Cd2+.

  DOI：

  10.1021/tx015521u
• 作为产物：
  描述：

  2-戊-4-烯基异吲哚-1,3-二酮 在 四氧化锇 、 一水合肼 、 N-甲基吗啉氧化物 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 4.0h， 生成 5-氨基戊烷-1,2-二醇
  参考文献：
  名称：

  Metabolic Profiling of Chronic Cadmium Exposure in the Rat

  摘要：

  A confounding problem with studying the effects of environmental exposure to contaminants in wild populations is that analytical techniques are invasive, particularly where the physiological effects of the toxin are assessed. In this study, a metabonomic approach to investigate the biochemical effects of chronic oral exposure to environmentally realistic doses of CdCl2 (low, 8 mg/kg; high, 40 mg/kg) is presented. H-1 NMR spectra of urine from exposed animals were analyzed using pattern recognition methods to identify biomarkers for a 94 day exposure period. Creatinuria and both increased excretion and complexation of citrate was detected after 19 days of exposure in both exposure groups. This was accompanied by a decrease in plasma Ca2+/Mg2+ ratio in blood plasma after 94 days. Post mortem, magic angle spinning (MAS) H-1 NMR spectroscopy was used alongside conventional analytical techniques to investigate intact tissue directly. According to atomic absorption sectroscopy, kidney tissue accumulated 26.8 +/- 2.5 mug of Cd2+/g dry wt (low) and 75.9 +/- 4.3 mug of Cd2+/g dry wt (high). Using high-resolution MAS H-1 NMR spectroscopy altered lipid content was detected in kidneys from animals exposed to Cd2+. However, unlike acute exposure, no testicular damage was evident. This systemic approach to metabolism demonstrated the different physiological effects of chronic subacute compared with an acute exposure to Cd2+.

  DOI：

  10.1021/tx015521u

文献信息

• Synthesis and Biological Evaluation of Novel, Peripherally Selective Chromanyl Imidazolethione-Based Inhibitors of Dopamine β-Hydroxylase
  作者：Alexandre Beliaev、David A. Learmonth、Patricio Soares-da-Silva

  DOI：10.1021/jm051051f

  日期：2006.2.1

  A novel series of dopamine beta-hydroxylase (DBH) inhibitors was designed and synthesized incorporating modifications to the core structure of nepicastat 3, with the principal aim of discovering potent DBH inhibitors exerting minimal effects on dopamine (DA) and noradrenaline (NA) levels in the central nervous system. This study resulted in the identification of a potent, peripherally selective DBH inhibitor, (R)-5-(2-aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione hydrochloride 54 (BIA 5-453). In experiments in mice and rats at T-max (9 h after administration), 54 reduced NA levels in a dose-dependent manner in both the left atrium and the left ventricle, with the maximal inhibitory effect attained at a dose of 100 mg/kg. In contrast to that found in the heart, 54 failed to affect NA tissue levels in the brain. Compound 54 is thus presented as a candidate for clinical evaluation for the treatment of chronic heart failure and hypertension.
• Metabolic Profiling of Chronic Cadmium Exposure in the Rat
  作者：Julian L. Griffin、Lee A. Walker、Richard F. Shore、Jeremy K. Nicholson

  DOI：10.1021/tx015521u

  日期：2001.10.1

  A confounding problem with studying the effects of environmental exposure to contaminants in wild populations is that analytical techniques are invasive, particularly where the physiological effects of the toxin are assessed. In this study, a metabonomic approach to investigate the biochemical effects of chronic oral exposure to environmentally realistic doses of CdCl2 (low, 8 mg/kg; high, 40 mg/kg) is presented. H-1 NMR spectra of urine from exposed animals were analyzed using pattern recognition methods to identify biomarkers for a 94 day exposure period. Creatinuria and both increased excretion and complexation of citrate was detected after 19 days of exposure in both exposure groups. This was accompanied by a decrease in plasma Ca2+/Mg2+ ratio in blood plasma after 94 days. Post mortem, magic angle spinning (MAS) H-1 NMR spectroscopy was used alongside conventional analytical techniques to investigate intact tissue directly. According to atomic absorption sectroscopy, kidney tissue accumulated 26.8 +/- 2.5 mug of Cd2+/g dry wt (low) and 75.9 +/- 4.3 mug of Cd2+/g dry wt (high). Using high-resolution MAS H-1 NMR spectroscopy altered lipid content was detected in kidneys from animals exposed to Cd2+. However, unlike acute exposure, no testicular damage was evident. This systemic approach to metabolism demonstrated the different physiological effects of chronic subacute compared with an acute exposure to Cd2+.