1507-14-8

Usage

Uses

Used in Pharmacology and Medicine:
1-(2-Hydroxyethyl)-3,7-dimethylxanthine is used as a vasodilator for improving blood flow and treating various respiratory conditions. Its smooth muscle relaxant properties contribute to its effectiveness in this application.
Used in Antioxidant Applications:
Theobromine is studied for its potential antioxidant properties, which may help protect cells from damage caused by free radicals and oxidative stress.
Used in Anti-cancer Applications:
Research is being conducted on theobromine for its possible anti-cancer properties, suggesting that it may have therapeutic potential in the fight against cancer.
Used in the Food Industry:
1-(2-Hydroxyethyl)-3,7-dimethylxanthine is used as a stimulant and flavor enhancer in the food industry, particularly in chocolate and other confectionery products, due to its mild stimulant effects and pleasant taste.
Used in the Beverage Industry:
Theobromine is also utilized in the beverage industry, where it is added to energy drinks and other products to provide a mild stimulant effect and enhance flavor.

InChI:InChI=1/C9H12N4O3/c1-11-5-10-7-6(11)8(15)13(3-4-14)9(16)12(7)2/h5,14H,3-4H2,1-2H3

Upstream product

• 75449-03-5 (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purine-1-yl) acetic acid ethyl ester 
• 624-76-0 Iodoethanol 
• 83-67-0 theobromine / 
• 1010-59-9 theobromine sodium salt 
• 540-51-2 2-bromoethanol 
• 107-07-3 2-chloro-ethanol 
• 75-21-8 oxirane 

Downstream Products

• 1220124-84-4 1-(2-hydroxyethyl)-3,7,9-trimethylxanthinium iodide 
• 47043-84-5 1-(2-diethylamino-ethyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione 
• 234432-02-1 1-(2-hydroxy-ethyl)-3,7-dimethyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione 
• 56865-08-8 1-(2-chloroethyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-2,6-purinedione 

Relevant academic research and scientific papers

Compound for treating pneumonia and application thereof

The invention discloses a compound for treating pneumonia and application thereof, and relates to the technical field of medicines. The compound for treating pneumonia is a heterocyclic compound, a pharmaceutically acceptable salt of the heterocyclic compound and/or a pharmaceutically acceptable carrier of the heterocyclic compound. The compound for treating pneumonia has a significant improvementeffect on bacterial pneumonia, viral pneumonia, fungal pneumonia, immune pneumonia, mycoplasma pneumonia, chlamydia pneumonia and other pathogen pneumonia, and especially can significantly improve pathological damage of viral bacterial pneumonia. The heterocyclic compound involved in the compound for treating pneumonia is simple in synthesis method, is suitable for industrial production, and is more stable than natural analogues; the activity of the compound is remarkably superior to that of ribavirin, oseltamivir, cefazolin and penicillin G which are clinically first-line medicines, and theactivity of the compound is also remarkably superior to that of purine analogues A, B and C.

Nucleoside derivative for preventing and treating inflammatory reaction as well as application thereof

The invention provides a nucleoside derivative for preventing and treating inflammatory reaction as well as application of the derivative to preparation of medicines for preventing and treating inflammatory diseases. The nucleoside derivative for preventing and treating inflammatory reaction, which is provided by the invention, can obviously improve the disease conditions of pancreatitis, hepatitis, arthritis and the like, can improve the damaged and inflammatory indexes of organs and has the effect better than that of a positive control medicine indometacin. Compared with the traditional anti-inflammatory medicines aspirin, ibuprofen, indometacin, butazodine, diclofenac, piroxicam and glucocorticoid, the nucleoside derivative for preventing and treating inflammatory reaction, which is provided by the invention, has the advantage that the side effect is obviously smaller.

Synthesis and anticancer activity of silver(I)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine

A new library of silver(I)-N-heterocyclic carbene complexes prepared from the natural products caffeine, theophylline and theobromine is reported. The complexes have been fully characterised using a combination of NMR spectroscopy, mass spectrometry, elemental analysis and X-ray diffraction analysis. Furthermore, the hydrophobicity of the complexes has been measured. The silver(I)-N-heterocyclic carbenes have been evaluated for their antiproliferative properties against a range of cancer cell lines of different histological types, and compared to cisplatin. The data shows different profiles of response when compared to cisplatin in the same panel of cells, indicating a different mechanism of action. Furthermore, it appears that the steric effect of the ligand and the hydrophobicity of the complex both play a role in the chemosensitivity of these compounds, with greater steric bulk and greater hydrophilicity delivering higher cytotoxicity.

A theobromine derived silver N-heterocyclic carbene: Synthesis, characterization, and antimicrobial efficacy studies on cystic fibrosis relevant pathogens

The increasing incidence of multidrug-resistant (MDR) pulmonary infections in the cystic fibrosis (CF) population has prompted the investigation of innovative silver based therapeutics. The functionalization of the naturally occurring xanthine theobromine

Characterization of 'mini-nucleotides' as P2X receptor agonists in rat cardiomyocyte cultures. An integrated synthetic, biochemical, and theoretical study

The design and synthesis of 'mini-nucleotides', based on a xanthine- alkyl phosphate scaffold, are described. The physiological effects of the new compounds were evaluated in rat cardiac cell culture regarding Ca2+ elevation and contractility. The results indicate biochemical and physiological profiles similar to those of ATP, although at higher concentrations. The biological target molecules of these 'mini-nucleotides' were identified by using selective P2-R and A1-R antagonists and P2-R subtype selective agonists. On the basis of these results and of experiments in Ca2+ free medium, in which [Ca2+](i) elevation was not observed, we concluded that interaction of the analogues is likely with P2X receptor subtypes, which causes Ca2+ influx. Theoretical calculations analyzing electronic effects within the series of xanthine-alkyl phosphates were performed on reduced models at quantum mechanical levels. Calculated dipole moment vectors, electrostatic potential maps, and volume parameters suggest an explanation for the activity or inactivity of the synthesized derivatives and predict a putative binding site environment for the active agonists. Xanthine-alkyl phosphate analogues proved to be selective agents for activation of P2X-R subtypes, whereas ATP activated all P2-R subtypes in cardiac cells. Therefore, these analogues may serve as prototypes of selective drugs aiming at cardiac disorders mediated through P2X receptors.

Highly efficient C-8 oxidation of substituted xanthines with substitution at the 1-, 3-, and 7- Positions using biocatalysts

A bacterial consortium consisting of strains belonging to the genus Klebsiella and Rhodococcus quantitatively converts 1-, 3- and 7-substituted xanthines to their respective 8-oxo compounds.