(2S,3S)-2-amino-N-(N-(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)sulfamoyl)-3-methylpentanamide

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 5'-脱氧核糖核苷
• 英文名称: (2S,3S)-2-amino-N-(N-(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)sulfamoyl)-3-methylpentanamide
• 英文别名: N-[Isoleucinyl]-N'-[adenosyl]-diaminosufone；(2S,3S)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]-3-methylpentanamide
• 化学式: C₁₆H₂₆N₈O₆S
• 分子量: 458.498
• InChiKey: XVTRBLLRODNOJV-VBJYJYTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  229
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  tert-butyl ((2S,3S)-1-((N-(((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)sulfamoyl)amino)-3-methyl-1-oxopentan-2-yl)carbamate 在 三氟乙酸 作用下， 以 水 为溶剂， 生成 (2S,3S)-2-amino-N-(N-(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)sulfamoyl)-3-methylpentanamide
  参考文献：
  名称：

  [EN] FRET-BASED ASSAYS
  [FR] DOSAGES PAR FRET

  摘要：

  The present application provides compounds and methods for identifying a modulator of a protein of interest using TR-FRET donor attached to the protein of interest and a tracer containing TR-FRET acceptor.

  公开号：

  WO2023004438A2

文献信息

• 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。
• X-RAY FLUORESCENCE ANALYSIS METHOD
  申请人：Los Alamos National Security, LLC

  公开号：EP2084519B1

  公开（公告）日：2012-08-01
• X-ray microscope
  申请人：XRpro Sciences, Inc.

  公开号：EP2511844B1

  公开（公告）日：2015-08-12
• Advanced Drug Development and Manufacturing
  申请人：XRpro Sciences, Inc.

  公开号：US20150309021A1

  公开（公告）日：2015-10-29

  X-ray fluorescence (XRF) spectrometry has been used for detecting binding events and measuring binding selectivities between chemicals and receptors. XRF may also be used for estimating the therapeutic index of a chemical. For estimating the binding selectivities of a chemical versus chemical analogs, for measuring post translational modification of proteins, and for drug manufacturing.
• [EN] FRET-BASED ASSAYS<br/>[FR] DOSAGES PAR FRET
  申请人：[en]THE GENERAL HOSPITAL CORPORATION

  公开号：WO2023004438A2

  公开（公告）日：2023-01-26

  The present application provides compounds and methods for identifying a modulator of a protein of interest using TR-FRET donor attached to the protein of interest and a tracer containing TR-FRET acceptor.