Description

7-Ethyl-3,7-Dihydro-8-(Isothiocyanatomethyl)-1,3-Dimethyl-1H-Purine-2,6-Dione is a specialized xanthine derivative functionalized with an isothiocyanate group, offering a unique reactive handle for conjugation and derivatization. This compound is valued for its role as a key synthetic intermediate in the development of novel bioactive molecules, particularly in pharmaceutical research and agrochemical discovery. It is primarily sought by research chemists and process development scientists in the life sciences sector for constructing targeted libraries and exploring new therapeutic or crop protection agents.

Application

• Pharmaceutical Intermediate: Serves as a crucial building block for synthesizing novel adenosine receptor ligands and other purine-based drug candidates.
• Bioconjugation Probe: The reactive isothiocyanate group enables covalent attachment to amines in proteins, peptides, or other biomolecules for creating targeted probes or drug conjugates.
• Agrochemical Research: Used in the discovery and synthesis of new pesticides and herbicides, leveraging the purine scaffold's biological activity.
• Chemical Biology Tool: Employed in activity-based protein profiling (ABPP) and other chemoproteomic strategies to study enzyme function and discover new targets.
• Material Science Precursor: Acts as a starting material for synthesizing functionalized polymers or coatings with specific biological or chemical properties.

Basic Information

Product Name	7-Ethyl-3,7-Dihydro-8-(Isothiocyanatomethyl)-1,3-Dimethyl-1H-Purine-2,6-Dione
CAS No.	27042-75-7
Molecular Formula	C11H13N5O2S
Molecular Weight	279.32 g/mol
Synonyms	8-(Isothiocyanatomethyl)-1,3-dimethyl-7-ethylxanthine; 7-Ethyl-8-(isothiocyanatomethyl)-1,3-dimethylxanthine; 8-Isothiocyanatomethyl-7-ethyl-1,3-dimethylxanthine; 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-[(isothiocyanato)methyl]-1,3-dimethyl-; Xanthine derivative, 8-isothiocyanatomethyl-7-ethyl-1,3-dimethyl-
EINECS	Contact for details

Quality Control

Our production of 7-Ethyl-3,7-Dihydro-8-(Isothiocyanatomethyl)-1,3-Dimethyl-1H-Purine-2,6-Dione adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research applications. All materials are characterized by advanced analytical techniques including HPLC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability and purity. For long-term storage, consider storing under an inert atmosphere such as argon or nitrogen.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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