NADH | 33155-07-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: NADH
• 英文别名: NAD
• CAS: 33155-07-6
• 化学式: C₂₁H₂₈N₇O₁₄P₂
• 分子量: 664.439
• InChiKey: DPFRAJJUTONNJF-NNYOXOHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  NADH 在 氧气 、 horseradish peroxidase 作用下， 以 水 为溶剂， 生成 nicotinamide adenine dinucleotide
  参考文献：
  名称：

  过氧化物酶-氧化酶反应动力学特征的主成分分析

  摘要：

  使用主成分分析（PCA）研究了由于过氧化物酶-氧化酶（PO）反应中的振荡引起的固有差异。底物是氧气和还原烟酰胺腺嘌呤二核苷酸（NADH）。辣根过氧化物酶（HRP）催化该反应。改变辅因子亚甲蓝（MB）的浓度，并使2,4-二氯苯酚保持恒定。NADH流入的增加用于将反应动力学从周期性改变为混乱。将反应空间抽象为最重要的，相互独立的吸收和动力学基础向量对（主要成分）。通常，从周期性时间序列中提取两个重要的主成分，并从混沌数据中提取三个。PCA模型占实验方差的70-97％。总方差的最大部分是在表现出周期性动态且小于25 nM MB的实验中占的。越来越多的MB诱导了NADH对PO振荡器方差的增加，这与增加的NADH流入一样。由化学物质的质量作用模型计算得出的模拟吸收时间序列，也由PCA分析。模拟与实验的比较表明，该化学模型使HRP氧化形式的时间序列具有保真度，但不完全代表NADH化学和观察到的动力学的

  DOI：

  10.1021/ac990957o
• 作为试剂：
  描述：

  苯基丙酮 在 乙二胺四乙酸 、 NADH 、 腺嘌呤黄素 、 1,4-二巯基-2,3-丁二醇 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 生成 乙酸苄酯
  参考文献：
  名称：

  Expanding the biocatalytic toolbox of flavoprotein monooxygenases from Rhodococcus jostii RHA1

  摘要：

  With the aim to enlarge the set of available flavoprotein monooxygenases, we have cloned 8 unexplored genes from Rhodococcus jostii RHA1 that were predicted to encode class B flavoprotein monooxygenases. Each monooxygenase can be expressed as soluble protein and has been tested for conversion of sulfides and ketones. Not only enantioselective sulfoxidations, but also enantioselective Baeyer-Villiger oxidations could be performed with this set of monooxygenases. Interestingly, in contrast to known class B flavoprotein monooxygenases, all studied biocatalysts showed no nicotinamide coenzyme preference. This feature coincides with the fact that the respective sequences appear to form a discrete group of sequence related proteins, distinct from the known class B flavoprotein monooxygenases subclasses: the so-called flavin-containing monooxygenases (FMOs), N-hydroxylating monooxygenases (NMOs) and Type I Baeyer-Villiger monooxygenases (BVMOs). Taken together, these data reveal the existence of a new subclass of class B flavoprotein monooxygenases, which we coined as Type II FMOs, that can perform Baeyer-Villiger oxidations and accept both NADPH and NADH as coenzyme. The uncovered biocatalytic properties of the studied Type II FMOs make this newly recognized subclass of monooxygenases of potential interest for biocatalytic applications. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2012.11.009

文献信息

• Thiosuccinyl Peptides as Sirt5-Specific Inhibitors
  作者：Bin He、Jintang Du、Hening Lin

  DOI：10.1021/ja2090417

  日期：2012.2.1

  Sirtuins, a class of enzymes known as nicotinamide adenine dinucleotide-dependent deacetylases, have been shown to regulate a variety of biological processes, including aging, transcription, and metabolism. Sirtuins are considered promising targets for treating several human diseases. There are seven sirtuins in humans (Sirt1-7). Small molecules that can target a particular human sirtuin are important for drug development and fundamental studies of sirtuin biology. Here we demonstrate that thiosuccinyl peptides are potent and selective Sirt5 inhibitors. The design of these inhibitors is based on our recent discovery that Sirt5 prefers to catalyze the hydrolysis of malonyl and succinyl groups, rather than an acetyl group, from lysine residues. Furthermore, among the seven human sirtuins, Sirt5 is the only one that has this unique acyl group preference. This study demonstrates that the different acyl group preferences of different sirtuins can be conveniently utilized to develop small molecules that selectively target different sirtuins.
• Principal Component Analysis of Dynamical Features in the Peroxidase−Oxidase Reaction
  作者：Ewa S. Kirkor、Alexander Scheeline、Marcus J. B. Hauser

  DOI：10.1021/ac990957o

  日期：2000.4.1

  contribution of NADH to the PO oscillator variance, as did increased NADH influx. A simulated absorption time series, computed from a mass-action model of the chemistry, was analyzed by PCA as well. The comparison of simulation with experiment indicates that the chemical model renders the time series for HRP oxidation forms with fidelity, but incompletely represents NADH chemistry and other salient processes

  使用主成分分析（PCA）研究了由于过氧化物酶-氧化酶（PO）反应中的振荡引起的固有差异。底物是氧气和还原烟酰胺腺嘌呤二核苷酸（NADH）。辣根过氧化物酶（HRP）催化该反应。改变辅因子亚甲蓝（MB）的浓度，并使2,4-二氯苯酚保持恒定。NADH流入的增加用于将反应动力学从周期性改变为混乱。将反应空间抽象为最重要的，相互独立的吸收和动力学基础向量对（主要成分）。通常，从周期性时间序列中提取两个重要的主成分，并从混沌数据中提取三个。PCA模型占实验方差的70-97％。总方差的最大部分是在表现出周期性动态且小于25 nM MB的实验中占的。越来越多的MB诱导了NADH对PO振荡器方差的增加，这与增加的NADH流入一样。由化学物质的质量作用模型计算得出的模拟吸收时间序列，也由PCA分析。模拟与实验的比较表明，该化学模型使HRP氧化形式的时间序列具有保真度，但不完全代表NADH化学和观察到的动力学的