Description

S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] methanethioate is a sophisticated, high-purity biochemical intermediate of significant interest in advanced pharmaceutical research and development. Its complex structure, which integrates a modified adenosine nucleotide with a thioester linkage, makes it a critical building block for probing enzymatic mechanisms and developing novel therapeutic agents. This compound is primarily sought after by research institutions and biopharmaceutical companies engaged in cutting-edge drug discovery programs, particularly in areas involving nucleotide metabolism and targeted protein modification.

Application

• Biochemical Research: Used as a key substrate or inhibitor in enzymatic studies, particularly for kinases, transferases, and other ATP-dependent enzymes.
• Proteomics & Chemical Biology: Serves as a specialized probe for labeling and studying protein function, interactions, and post-translational modifications via its reactive thioester group.
• Pharmaceutical Intermediate: Acts as a crucial synthetic precursor in the development of novel nucleotide-based therapeutics, including potential antivirals and oncology drugs.
• Mechanism-Based Inhibitor Design: Utilized in the rational design of covalent enzyme inhibitors that mimic the transition state of biochemical reactions.
• Diagnostic Reagent Development: Employed in the formulation of high-sensitivity assay kits for detecting specific enzymatic activities in clinical and research settings.

Basic Information

Product Name	S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] methanethioate
CAS No.	13131-49-2
Molecular Formula	C24H40N7O18P3S
Molecular Weight	863.59 g/mol
Synonyms	Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-[3-[[3-[[2-[(acetylthio)acetyl]amino]propanoyl]amino]-4-hydroxy-3,3-dimethyl-1-oxobutoxy]propyl] ester; 2'-Deoxy-2'-[3-[[3-[[2-[(acetylthio)acetyl]amino]propanoyl]amino]-4-hydroxy-3,3-dimethyl-1-oxobutoxy]propyl]adenosine 5'-(tetrahydrogen triphosphate); S-Acetyl-2-[[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoyl]amino]ethanethioate; A thioester analog of adenosine triphosphate (ATP).
EINECS	Contact for details

Quality Control

This high-value biochemical is manufactured under strict quality control protocols to ensure batch-to-batch consistency and purity suitable for sensitive research applications. Our quality assurance includes comprehensive analytical characterization using techniques such as HPLC, NMR, and mass spectrometry. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with each shipment to support your regulatory and research documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below in a dry environment. This compound is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability. Allow the sealed container to reach room temperature before opening to prevent condensation.

Specification

Item	Specification
Appearance	White to off-white powder or solid
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95%
Water Content (KF)	≤ 2.0%
Solubility	Soluble in DMSO, Methanol; Slightly soluble in Water

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.