Description

1-(4-(4-(3,4-Dichlorophenyl)-Piperazinyl)Butyl)Theobromine Dihydrochloride is a high-purity, synthetically derived chemical compound of significant interest in advanced pharmaceutical research and development. This compound matters for its potential as a key intermediate or active pharmaceutical ingredient (API) in the synthesis of novel therapeutic agents, particularly those targeting neurological and cardiovascular pathways. It is primarily needed by pharmaceutical R&D laboratories, contract manufacturing organizations (CMOs), and fine chemical suppliers serving the global life sciences industry.

Application

• Pharmaceutical Intermediate: Serves as a critical building block in the multi-step synthesis of potential new chemical entities (NCEs) for drug discovery programs.
• Neurological Research: Investigated for applications in the development of compounds targeting adenosine receptor modulation, which is relevant for conditions like Parkinson's disease, anxiety, and depression.
• Cardiovascular Research: Used in studies exploring vasodilatory effects and potential treatments for hypertension, owing to its structural relationship to theobromine.
• Reference Standard: Supplied as an analytical standard for quality control and method development in pharmaceutical testing laboratories.
• Biochemical Tool Compound: Employed in in-vitro and in-vivo studies to understand specific biochemical pathways and receptor interactions.
• Custom Synthesis: Used as a starting material for the custom synthesis of more complex, proprietary molecules for client-specific research projects.

Basic Information

Product Name	1-(4-(4-(3,4-Dichlorophenyl)-Piperazinyl)Butyl)Theobromine Dihydrochloride
CAS No.	87798-91-2
Molecular Formula	C21H27Cl2N5O2 • 2HCl
Molecular Weight	529.31 g/mol (for the dihydrochloride salt)
Synonyms	1-[4-[4-(3,4-Dichlorophenyl)-1-piperazinyl]butyl]-3,7-dimethyl-2,6(1H,3H)-purinedione dihydrochloride; Theobromine Derivative Dihydrochloride; 1-(4-(4-(3,4-Dichlorophenyl)piperazin-1-yl)butyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione dihydrochloride; 87798-91-2; 1-(4-(4-(3,4-Dichlorophenyl)-1-Piperazinyl)Butyl)-3,7-Dimethylxanthine Dihydrochloride
EINECS	Contact for details

Quality Control

Our 1-(4-(4-(3,4-Dichlorophenyl)-Piperazinyl)Butyl)Theobromine Dihydrochloride is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via IR and NMR spectroscopy, to ensure it meets exacting standards for research and development use. Certificates of Analysis (COA) with detailed chromatographic data are available upon request to support your regulatory and quality assurance requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after each use to prevent degradation from atmospheric moisture. For long-term storage, consider desiccants or inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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