Description

8-(4-(((((2-((((3-Isothiocyanatophenyl)Amino)(Thiocarbonyl))Amino)Ethyl)Amino)Carbonyl)Methyl)Oxy)Phenyl)-1,3-Dipropylxanthine is a high-purity, specialized xanthine derivative functionalized with an isothiocyanate group, serving as a critical research-grade biochemical tool. This compound is engineered for targeted covalent modification and labeling of biomolecules, offering researchers precise control in molecular interaction studies. It is primarily utilized in advanced life science research, pharmaceutical development, and as a key intermediate for synthesizing novel adenosine receptor ligands and diagnostic probes.

Application

• Bioconjugation & Probe Development: The reactive isothiocyanate group enables covalent attachment to proteins, antibodies, or other amine-containing molecules for creating fluorescent probes, affinity labels, or drug conjugates.
• Adenosine Receptor Research: Acts as a functionalized derivative of DPCPX (1,3-Dipropyl-8-cyclopentylxanthine), used in studying adenosine A1 receptor antagonism, binding assays, and structure-activity relationship (SAR) studies.
• Pharmaceutical Intermediate: Serves as a key synthetic building block for the development of new xanthine-based therapeutic candidates targeting neurological and cardiovascular disorders.
• Diagnostic Reagent Synthesis: Used in the manufacture of reagents for diagnostic kits, particularly in assays requiring high-specificity molecular recognition elements.
• Chemical Biology Tool: Facilitates the study of signal transduction pathways by allowing irreversible inhibition or tagging of specific receptor targets in cellular systems.
• Material Science Research: Potential use in surface functionalization of nanomaterials for biosensor applications due to its specific binding and labeling capabilities.

Basic Information

Product Name	8-(4-(((((2-((((3-Isothiocyanatophenyl)Amino)(Thiocarbonyl))Amino)Ethyl)Amino)Carbonyl)Methyl)Oxy)Phenyl)-1,3-Dipropylxanthine
CAS No.	120059-19-0
Molecular Formula	C28H32N8O3S2
Molecular Weight	592.74 g/mol
Synonyms	DPCPX-Isothiocyanate; 1,3-Dipropyl-8-[4-[[[[2-[[[(3-isothiocyanatophenyl)amino]thioxomethyl]amino]ethyl]amino]carbonyl]methoxy]phenyl]xanthine; 8-(4-(((((2-((((3-Isothiocyanatophenyl)Carbamothioyl)Amino)Ethyl)Amino)Carbonyl)Methoxy)Phenyl)-1,3-Dipropyl-3,7-dihydro-1H-purine-2,6-dione; Xanthine A1 Receptor Antagonist Isothiocyanate; Isothiocyanato-DPCPX; NSC 339524; A1 Adenosine Receptor Antagonist Derivative
EINECS	Contact for details

Quality Control

Our production of 8-(4-(((((2-((((3-Isothiocyanatophenyl)Amino)(Thiocarbonyl))Amino)Ethyl)Amino)Carbonyl)Methyl)Oxy)Phenyl)-1,3-Dipropylxanthine adheres to stringent quality protocols suitable for research and development applications. Each batch is characterized and tested to ensure high chemical purity and structural integrity. Comprehensive analytical techniques including HPLC, NMR, and mass spectrometry are employed. A detailed Certificate of Analysis (COA) providing batch-specific data on purity, identity, and impurities is supplied with every order to support your critical research and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below under an inert atmosphere (e.g., argon or nitrogen) for long-term stability. This compound is hygroscopic (moisture-sensitive) and light-sensitive. Allow the sealed container to equilibrate to room temperature before opening to minimize moisture uptake. For short-term use, store desiccated at 2-8°C.

Specification

Item	Specification
Appearance	Off-white to light yellow solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines
Heavy Metals	< 20 ppm

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