1-(4-isopentyIoxybutoxy)-3-methylbutane | 873988-92-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-isopentyIoxybutoxy)-3-methylbutane
• 英文别名: 1,4-bis-isopentyloxy-butane；Tetramethylenglykol-diisopentylaether；1,4-Bis-isopentyloxy-butan；1.4-Diisopentyloxy-butan；α.δ-Diisoamyloxy-butan；Tetramethylenglykol-diisoamylaether；3-Methyl-1-[4-(3-methylbutoxy)butoxy]butane；3-methyl-1-[4-(3-methylbutoxy)butoxy]butane
• CAS: 873988-92-2
• 化学式: C₁₄H₃₀O₂
• 分子量: 230.391
• InChiKey: IBXNAUIGGLGFKO-UHFFFAOYSA-N

物化性质

• 沸点：
  260.5±8.0 °C(Predicted)
• 密度：
  0.843±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  16.0
• 可旋转键数：
  11.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(4-isopentyIoxybutoxy)-3-methylbutane 在 氢溴酸 作用下， 生成 1,4-二溴丁烷 、 1-(4-溴丁氧基)-3-甲基丁烷
  参考文献：
  名称：

  Hamonet, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1904, vol. 138, p. 977

  摘要：

  DOI：
• 作为产物：
  描述：

  bis-(3-isopentyloxy-propionyl)-peroxide 生成 1-(4-isopentyIoxybutoxy)-3-methylbutane
  参考文献：
  名称：

  Fichter, Zeitschrift fur Elektrochemie und angewandte physikalische Chemie, 1929, vol. 35, p. 712

  摘要：

  DOI：

文献信息

• Variable Absorption of Carbidopa Affects Both Peripheral and Central Levodopa Metabolism
  作者：R. Durso、J. E. Evans、E. Josephs、G. Szabo、B. Evans、H. H. Fernandez、T. R. Browne

  DOI：10.1177/00912700022009585

  日期：2000.8

  Carbidopa (CD), a competitive inhibitor of aromatic l-amino acid decarboxylase that does not cross the blood-brain barrier, is routinely administered with levodopa (LD) to patients with Parkinson disease (PD) to reduce the peripheral decarboxylation of LD to dopamine. Using a stable isotope-labeled form of LD, the authors examined in 9 PD patients the effects of variable CD absorption on peripheral and central LD metabolism. Subjects were administered orally 50 mg of CD followed in 1 hour by a slow bolus intravenous infusion of 150 mg stable isotope-labeled LD (ring 1′,2′,3′,4′,5′,6′-13C). Eight patients underwent a lumbar puncture 6 hours following the infusion. Blood and cerebrospinal fluid (CSF) samples were analyzed for labeled and unlabeled metabolites using a combination of high-performance liquid chromatography and mass spectrometry. When patients were divided into “slow” and “rapid” CD absorption groups, significantly greater peripheral LD decarboxylation (as measured by area under the curve [AUC]-labeled serum HVA) was noted in the poor absorbers (p = 0.05, Mann-Whitney U test). Elimination half-lives for serum LD did not differ between groups, suggesting a further capacity for decarboxylation inhibition in the “rapid” absorbers. A significant correlation between AUC serum CD and percent-labeled HVA in CSF was found for all patients (R = 0.786, p = 0.02). “Rapid” as compared to “slow” CD absorbers had significantly more percent-labeled CSF HVA (60 vs. 49, p = 0.02, Mann-Whitney U test), indicating greater central-labeled DA production in the better CD absorbers. The data suggest that peripheral aromatic l-amino acid decarboxylase activity is not saturated at CD doses used in current practice. The authors believe that future studies to better examine a dose dependence of CD on peripheral LD decarboxylation and LD brain uptake are warranted.

  卡比多巴（CD）是一种竞争性抑制剂，能够抑制芳香族L-氨基酸脱羧酶，但不穿越血脑屏障，通常与左旋多巴（LD）共同给药于帕金森病（PD）患者，以减少LD在外周转化为多巴胺。作者使用稳定同位素标记的LD形式，在9名PD患者中研究了CD吸收的变化对外周和中枢LD代谢的影响。受试者口服50毫克CD，1小时后进行150毫克稳定同位素标记的LD（环1′,2′,3′,4′,5′,6′-13C）缓慢静脉输注。8名患者在输注后6小时接受腰椎穿刺。血液和脑脊液（CSF）样本通过高效液相色谱和质谱的组合分析了标记和未标记代谢产物。当患者分为“慢速”和“快速”CD吸收组时，发现吸收差的患者外周LD脱羧化（通过曲线下面积[AUC]标记的血清HVA测量）显著增加（p = 0.05，Mann-Whitney U检验）。两组血清LD的消除半衰期没有差异，这表明“快速”吸收者仍有进一步的脱羧化抑制能力。对所有患者发现AUC血清CD与CSF中标记HVA百分比之间有显著相关性（R = 0.786，p = 0.02）。“快速”CD吸收者与“慢速”吸收者相比，CSF中标记HVA的百分比显著更高（60 vs. 49，p = 0.02，Mann-Whitney U检验），这表明更好的CD吸收者在中枢产生的多巴胺更高。数据表明，在当前实践中使用的CD剂量下，外周芳香族L-氨基酸脱羧酶的活性并未达到饱和。作者相信，未来的研究有必要更好地检查CD对外周LD脱羧化和LD脑摄取的剂量依赖性。
• Hamonet, Bulletin de la Societe Chimique de France, 1905, vol. <3>33, p. 526
  作者：Hamonet

  DOI：——

  日期：——
• Hamonet, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1901, vol. 132, p. 260
  作者：Hamonet

  DOI：——

  日期：——