2-氟-三磷酸腺苷 | 1492-62-2

• 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: 2-氟-三磷酸腺苷
• 英文名称: 2-fluoroadenosine 5'-triphosphate
• 英文别名: 2-fluoroadenosine-5'-triphosphate；2-Fluoro-ATP；[[(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• CAS: 1492-62-2
• 化学式: C₁₀H₁₅FN₅O₁₃P₃
• 分子量: 525.174
• InChiKey: PIOKUWLZUXUBCO-UUOKFMHZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.3
• 重原子数：
  32
• 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：
  18

反应信息

• 作为产物：
  描述：

  fludarabine 在 pyruvate kinase 、 肌激酶 、 phosphoenolpyruvic acid monopotassium salt 、 1,4-二巯基-2,3-丁二醇 作用下， 以 aq. buffer 为溶剂， 以49 %的产率得到2-氟-三磷酸腺苷
  参考文献：
  名称：

  通过 19F NMR 研究合成新霉素传感核糖开关中的多位点构象交换

  摘要：

  分子运动与功能紧密耦合。在这里，我们使用五种不同的氟核磁共振弛豫方法的独特组合来揭示三种结构相似的核糖开关：配体复合物的动力学。我们的数据显示了出乎意料的复杂交换拓扑，具有多达四种结构不同的状态。重要的是，可以准确确定相关的动力学和热力学参数。

  DOI：

  10.1002/anie.202218064

文献信息

• [EN] NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS<br/>[FR] NOUVEAUX RÉACTIFS À BASE DE PHOSPHORE (V), LEURS PROCÉDÉS DE PRÉPARATION ET LEUR UTILISATION DANS LA FABRICATION DE COMPOSÉS ORGANOPHOSHOREUX (V) STÉRÉODÉFINIS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019200273A1

  公开（公告）日：2019-10-17

  The present invention relates to novel phosphorous (V) (P(V)) reagents, methods for preparing thereof, and methods for preparing organophosphorous (V) compounds by using the novel reagents.

  本发明涉及新型磷（V）（P(V)）试剂，其制备方法以及利用这种新型试剂制备有机磷（V）化合物的方法。
• Cyclic di-nucleotide compounds as sting agonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10106574B2

  公开（公告）日：2018-10-23

  A class of polycyclic compounds of general formula (I), of general formula (I′), or of general formula (I″), wherein Base1, Base2, Y, Ya, Xa, Xa1, Xb, Xb1, Xc, Xc1, Xd, Xd1, R1, R1a, R2, R2a, R3, R4, R4a, R5, R6, R6a, R7, R7a, R8, and R8a are defined herein, that may be useful as inductors of type I interferon production, specifically as STING active agents, are provided. Also provided are processes for the synthesis and use of compounds.

  一类通式(I)、通式(I′)或通式(I″)的多环化合物，其中Base1、Base2、Y、Ya、Xa、Xa1、Xb、Xb1、Xc、Xc1、Xd、Xd1、R1、R1a、R2、本文定义的 R2a、R3、R4、R4a、R5、R6、R6a、R7、R7a、R8 和 R8a 可用作 I 型干扰素产生的诱导剂，特别是 STING 活性剂。还提供了合成和使用这些化合物的工艺。
• Sample preparation method
  申请人：Oxford Nanopore Technologies Ltd.

  公开号：US10669578B2

  公开（公告）日：2020-06-02

  The invention relates to an improved method for characterising a template polynucleotide. The method involves using a polymerase to prepare a modified polynucleotide which makes it easier to characterise than the template polynucleotide.

  本发明涉及一种表征模板多核苷酸的改进方法。该方法包括使用聚合酶制备修饰的多核苷酸，使其比模板多核苷酸更容易表征。
• Cyclic di-nucleotide compounds as STING agonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10759825B2

  公开（公告）日：2020-09-01

  A class of polycyclic compounds of general formula (I), of general formula (I′), or of general formula (I″), wherein Base1, Base2, Y, Ya, Xa, Xa1, Xb, Xb1, Xc, Xc1, Xd, Xd1, R1, R1a, R2, R2a, R3, R4, R4a, R5, R6, R6a, R7, R7a, R8, and R8a are defined herein, that may be useful as inductors of type I interferon production, specifically as STING active agents, are provided. Also provided are processes for the synthesis and use of compounds.

  一类通式(I)、通式(I′)或通式(I″)的多环化合物，其中Base1、Base2、Y、Ya、Xa、Xa1、Xb、Xb1、Xc、Xc1、Xd、Xd1、R1、R1a、R2、本文定义的 R2a、R3、R4、R4a、R5、R6、R6a、R7、R7a、R8 和 R8a 可用作 I 型干扰素产生的诱导剂，特别是 STING 活性剂。还提供了合成和使用这些化合物的工艺。
• Enzymatic Synthesis and ¹⁹F NMR Studies of 2-Fluoroadenine-Substituted RNA
  作者：Lincoln G. Scott、Bernhard H. Geierstanger、James R. Williamson、Mirko Hennig

  DOI：10.1021/ja047556x

  日期：2004.9.1

  The production of isotopically labeled RNA remains critical to current NMR structural studies. One approach to obtain simple NMR spectra is to label with a nucleus that is not naturally occurring in RNA. Fluorine-19 can serve as a sensitive site-specific probe upon incorporation into RNA. Here we report the efficient in vitro enzymatic synthesis of 2-fluoroadenosine-5'-triphosphate and its incorporation into the HIV-2 transactivation region (TAR) of RNA by DNA template-directed transcription using phage T7 RNA polymerase. We provide unequivocal evidence for this 19F-substituted base analogue capability to selectively interact with uracil, forming 2F-A-U base pairs in RNA. The introduction of a 2-fluoroadenyl substitution is relatively nonperturbing and provides us with uniquely positioned, sensitive NMR reporter groups to monitor structural changes in the local RNA environment.