5'-二磷酰腺苷 2'-磷酸酯 | 4457-01-6

• 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
• 中文名称: 5'-二磷酰腺苷 2'-磷酸酯
• 中文别名: 5'-二磷酰腺苷2'-磷酸酯
• 英文名称: O^5'-trihydroxydiphosphoryl-O^2'-phosphono-adenosine
• 英文别名: adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)；Adenosin-2'-phosphat-5'-pyrophosphat；2'-Monophosphoadenosine-5'-diphosphate；[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate
• CAS: 4457-01-6
• 化学式: C₁₀H₁₆N₅O₁₃P₃
• 分子量: 507.184
• InChiKey: YPTPYQSAVGGMFN-KQYNXXCUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  279
• 氢给体数：
  7
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  5'-二磷酰腺苷 2'-磷酸酯 、 烟酰胺[羰基-14C] 以 aq. phosphate buffer 、 乙醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Synthesis of radiolabeled nicotinamide cofactors from labeled pyridines: Versatile probes for enzyme kinetics

  摘要：

  C-14-labeled nicotinamide cofactors are widely employed in biomedical investigations: for example, to delineate C-14-labeled nicotinamide cofactors are widely employed in biomedical investigations, for example, to delineate metabolic pathways, to elucidate enzymatic mechanisms, and as substrates in kinetic isotope effect (KIE) experiments. The C-14 label has generally been located remote from the reactive position, frequently at the adenine ring. Rising costs of commercial precursors and disruptions in the availability of enzymes required for established syntheses have recently made the preparation of labeled nicotinamides such as [Ad-C-14]NADPH unviable. Here, we report the syntheses and characterization of several alternatives: [carbonyl-C-14]NADPH, 4R-[carbonyl-C-14, 4-H-2]NADPH, and [carbonyl-C-14, 4-H-2(2)]NADPH. The new procedures use [carbonyl-C-14]nicotinamide as starting material, because it is significantly cheaper than other commercial C-14 precursors of NADPH, and require only one commercially available enzyme to prepare NAD(P)(+) and NAD(P)H. The proximity of carbonyl-C-14 to the reactive center raises the risk of an inopportune C-14 isotope effect. This concern has been alleviated via competitive KIE measurements with Escherichia coli dihydrofolate reductase (EcDHFR) that use this specific carbonyl-C-14 NADPH. A combination of binding isotope effect and KIE measurements yielded no significant C-12/C-14 isotope effect at the amide carbonyl (KIE = 1.003 +/- 0.004). The reported procedure provides a high-yield, high-purity, and cost-effective alternative to labeled nicotinamide cofactors synthesized by previously published routes. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.ab.2012.08.012
• 作为产物：
  描述：

  NADPH 以 水 为溶剂， 反应 16.0h， 生成 5'-二磷酰腺苷 2'-磷酸酯 、 、 烟酰胺 、 nicotinamide adenine dinucleotide 、 [(2R,3R,4R,5R)-2-(6-氨基嘌呤-9-基)-4-羟基-5-(膦酰氧基甲基)四氢呋喃-3-基]磷酸二氢酯
  参考文献：
  名称：

  Factors influencing the operational stability of NADPH-dependent alcohol dehydrogenase and an NADH-dependent variant thereof in gas/solid reactors

  摘要：

  The continuous enzymatic gas/solid bio-reactor serves both for the production of volatile fine chemicals and flavors on an industrial scale and for thermodynamically controlled investigation of substrate and water effects on enzyme preparations for research purposes. Here, we comparatively investigated the molecular effects on the operational stability of NADPH-dependent Lactobacillus brevis alcohol dehydrogenase and an NADH-dependent variant thereof, LbADH G37D, in the gas/solid bioreactor. The reference reaction is the reduction of acetophenone to (R)-1-phenylethanol with concomitant oxidation of 2-propanol to acetone for the purpose of regeneration of the redox cofactor.It could be clearly shown that not the thermostability of the cofactor, but the thermostability of the proteins in the solid dry state govern the order of magnitude of the operational stability of both purified enzymes in the gas/solid reactor at low thermodynamic activity of water and substrate. However, at higher thermodynamic activity the operational stability in the gas/solid reactor is overlaid by stabilizing and destabilizing effects of the substrates that require further investigation. We demonstrated first evidence that the substrate affinity of the two variants in the gas/solid reactor is similar to the affinity in aqueous medium. We could also show that partial unfolding of the proteins with subsequent aggregation are the factors governing protein thermo-in-stability both in the dissolved and in the dry state. Thus. stability investigations of enzymes in the dry state are suggested to predict their basal level of operational stability in gas/solid reactions. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2010.09.005

文献信息

• Device and method for pressure-driven plug transport and reaction
  申请人：The University of Chicago

  公开号：EP2278338A2

  公开（公告）日：2011-01-26

  The present invention provides microfabricated substrates and methods of conducting reactions within these substrates. The reactions occur in plugs transported in the flow of a carrier-fluid.

  本发明提供了微加工基底和在这些基底内进行反应的方法。反应发生在在载流体流动中传输的塞子中。
• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。
• Matrices and media for storage and stabilization of biomolecules
  申请人：GenTegra LLC

  公开号：US10160997B2

  公开（公告）日：2018-12-25

  The present invention provides compositions useful for biomolecule storage comprising a water soluble inorganic compound, a stabilizer, or a combination thereof. The present invention also provides methods of using the compositions of the invention to store biomolecules in the dry state and in solution, as well as sample carriers and kits comprising compositions of the invention.

  本发明提供了用于储存生物分子的组合物，该组合物包含水溶性无机化合物、稳定剂或它们的组合。本发明还提供了使用本发明组合物在干燥状态和溶液中储存生物分子的方法，以及包含本发明组合物的样品载体和试剂盒。
• Hand-held medical apparatus
  申请人：——

  公开号：US20040236244A1

  公开（公告）日：2004-11-25

  The subject invention provides a hand-held medical apparatus ( 10 ) for detecting a predetermined component of user breath and producing a breath-component signal over a measurement time. Such breath-component signal may be correlated to a user fat metabolism indicator.

  本发明提供了一种手持式医疗器械 ( 10 用于检测用户呼吸的预定成分，并在测量时间内产生呼吸成分信号。这种呼吸成分信号可与用户脂肪代谢指标相关联。
• HAND-HELD MEDICAL APPARATUS
  申请人：DOW GLOBAL TECHNOLOGIES INC.

  公开号：EP1446050A1

  公开（公告）日：2004-08-18