23043-88-1

Basic information

• Product Name: 7-ETHYL THEOPHYLLINE
• Synonyms: 7-ETHYL THEOPHYLLINE;7-ETHYL-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE;Ethyltheophylline;7-Ethyl-1,3-diMethylxanthine;NSC 515485
• CAS NO: 23043-88-1
• Molecular Formula: C₉H₁₂N₄O₂
• Molecular Weight: 208.22
• Product Categories: All Inhibitors;Inhibitors;Heterocycles
• Mol File: 23043-88-1.mol
• Article Data: 8

Chemical Properties

• Melting Point: 148-150°C
• Boiling Point: 347.41°C (rough estimate)
• Flash Point: 206.9°C
• Appearance: /
• Density: 1.2480 (rough estimate)
• Vapor Pressure: 3.26E-07mmHg at 25°C
• Refractive Index: 1.6590 (estimate)
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform, Dichloromethane, Methanol
• Water Solubility: 36.65g/L(30 oC)
• CAS DataBase Reference: 7-ETHYL THEOPHYLLINE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-ETHYL THEOPHYLLINE(23043-88-1)
• EPA Substance Registry System: 7-ETHYL THEOPHYLLINE(23043-88-1)

Safety Data

• Hazardous Substances Data: 23043-88-1(Hazardous Substances Data)

Usage

Chemical Properties

White Crystalline Solid

Uses

A 7-substituted Theophylline; a Xanthine analog.

InChI:InChI=1/C9H12N4O2/c1-4-13-5-10-7-6(13)8(14)12(3)9(15)11(7)2/h5H,4H2,1-3H3

Upstream product

• 74-96-4 ethyl bromide 
• 58-55-9 theophylline 
• 75-03-6 ethyl iodide 
• 80-40-0 ethyl ester of p-toluenesulfonic acid 
• 186581-53-3 diazomethane 
• 102244-26-8 1-methyl-7-ethylxanthine 
• 57533-87-6 1,3-Dimethylxanthine potassium salt 
• 652-37-9 acefylline 

Downstream Products

• 5176-82-9 1,3-dimethylparabanic acid 
• 7664-41-7 ammonia 
• 75-04-7 ethylamine 
• 15719-64-9 methylammonium carbonate 
• 55242-68-7 3-methyl-7-ethyl-xanthine 
• 1268823-04-6 7-ethyl-1,3-dimethyl-8-phenylxanthine 

Relevant articles and documents

Synthesis and Biological Evaluation of Theophylline Methyl 1,3,4-Oxadiazole as Anticancer Agents

Abstract: A series of theophylline methyl 1,3,4-oxadiazole small molecules were obtained via cyclization of theophylline-7-acetohydrazide with different benzoic acids. The compounds (IVa–j) were synthesized and characterized by using conventional methods. The new compounds obtained were evaluated for their cytotoxic effect in three different cancer lines, the activity obtained varies depending upon the structure of a molecule. The compound (IVb) and (IVf) showed promising effect than other compounds of the series. Thus, these two derivatives have the potential for developing as anticancer agents.

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.

A Symmetrical Model for the Self-association of Xanthines in Aqueous Solution

The self-association of caffeine, 7-ethyl-, 7-propyl-, and 7-butyl-theophylline, theophylline, 1,3-diethylxanthine, and 3-isobutyl-1-methylxanthine in aqueous solution was explored in this study.Detailed analyses of all the proton shifts in CDCl3 and D2O solutions were undertaken, measuring both concentration- and temperature-dependence.Operative factors determining the chemical shift values include solvent-structuring effects, polarizability capacities, and hydrogen bonding involving water bridges.Evidence is given to support a symmetric mode of association induced by hydrophobic interaction and hydrophilic hydration between contiguous groups.The chemical shifts of theophylline and two of its analogues were measured in D2O, CD3OD, and CDCl3 solutions.Only in CD3OD did the shifts show different trends which were interpreted on the basis of the solvation capacity of CD3OD and steric hindrance to the specific solvation.