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Theophylline

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Identification
Molecular formula
C7H8N4O2
CAS number
58-55-9
IUPAC name
1,3-dimethyl-7-[2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]purine-2,6-dione
State
State

At room temperature, theophylline is in a solid state. It is usually handled as a powder.

Melting point (Celsius)
272.00
Melting point (Kelvin)
545.15
Boiling point (Celsius)
272.00
Boiling point (Kelvin)
545.15
General information
Molecular weight
194.19g/mol
Molar mass
194.1930g/mol
Density
1.2500g/cm3
Appearence

Theophylline typically appears as a white crystalline powder. It is odorless and has a bitter taste.

Comment on solubility

Solubility of 1,3-Dimethyl-7-[2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]purine-2,6-dione

The solubility of 1,3-dimethyl-7-[2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]purine-2,6-dione is a complex topic due to its intricate structure and the presence of multiple functional groups. Below are some key points concerning its solubility:

  • Polarity: The overall polarity of the compound influences its solubility in different solvents. Compounds with greater polarity typically dissolve better in polar solvents.
  • Hydrogen Bonding: This compound may engage in hydrogen bonding, especially due to the amine groups. Such interactions can enhance solubility in polar solvents like water.
  • Solvent Compatibility: The ability of this compound to dissolve in organic solvents such as ethanol or acetone may be greater than that in water. It's essential to consider solvent characteristics when assessing solubility.
  • Temperature Effects: As with many chemical compounds, increasing temperature may improve solubility by providing additional energy to overcome intermolecular forces.
  • pH Influence: The solubility can also be affected by pH levels, particularly because the compound contains amine functionalities that can ionize under certain conditions.

In summary, the solubility of 1,3-dimethyl-7-[2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]purine-2,6-dione is influenced by various factors including polarity, hydrogen bonding capacities, solvent choice, temperature, and pH level. Understanding these factors is crucial for applications involving this compound.

Interesting facts

Interesting Facts about 1,3-Dimethyl-7-[2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]purine-2,6-dione

This compound, commonly known as a type of methylxanthine, is a fascinating substance in the realm of pharmacology and biochemistry. Here are some intriguing details about it:

  • Origin: It is structurally related to caffeine, a well-known stimulant found in various beverages like coffee and tea. This compound also boasts similar stimulating properties.
  • Mechanism of Action: The activity of this compound is primarily attributed to its role as an adenosine receptor antagonist, which can enhance cognitive function and stimulate the central nervous system.
  • Potential Uses: Research suggests that it may have therapeutic applications in treating **respiratory diseases**, as well as potential benefits in enhancing athletic performance due to its stimulating effects.

Moreover, the compound undergoes several metabolic pathways that can yield significant results in biological processes. Interestingly, derivatives of similar compounds are being explored for their possible role in treating conditions such as asthma and chronic obstructive pulmonary disease (COPD).

In the world of pharmaceuticals, the ability to modify side groups on the purine skeleton allows for the development of new drugs with tailored effects, making this compound a subject of ongoing research and development. As one scientist put it, “Understanding these methylated variations can unlock new potential in drug design.”

Overall, 1,3-dimethyl-7-[2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]purine-2,6-dione exemplifies how small changes in molecular structure can create profound differences in biological activity and therapeutic potential.

Synonyms
FENETHYLLINE
Fenetylline
Phenethylline
Amfetyline
Captagon
Fenetyllin
Amphetaminoethyltheophylline
Theophyllineethylamphetamine
Fenetylinum
Fenetilina
Fitton
3736-08-1
Humburg 814
Fenetillina [DCIT]
Fenetillina
Fenetyllinum
Fenetylline [INN:BAN]
Fenetilina [INN-Spanish]
Fenetyllinum [INN-Latin]
HOMBURG-814
YZ0N7VL5R3
Theophylline, 7-(2-((alpha-methylphenethyl)amino)ethyl)-
Fenetylline (INN)
Fitton (TN)
FENETHYLLINE [MI]
FENETYLLINE [INN]
UNII-YZ0N7VL5R3
BRN 1169517
FENETYLLINE [WHO-DD]
7-(2-((alpha-Methylphenethyl)amino)ethyl)theophylline
HSDB 8315
DTXSID50859686
Fenetilina (INN-Spanish)
Fenetyllinum (INN-Latin)
5-26-14-00005 (Beilstein Handbook Reference)
7-(2-((.ALPHA.-METHYLPHENETHYL)AMINO)ETHYL)THEOPHYLLINE
THEOPHYLLINE, 7-(2-((.ALPHA.-METHYLPHENETHYL)AMINO)ETHYL)-
1,3-DIMETHYL-7-(2-(1-METHYL-2-PHENYLETHYLAMINO)ETHYL)XANTHINE
3,7-DIHYDRO-1,3-DIMETHYL-7-(2-((1-METHYL-2-PHENYLETHYL)AMINO)ETHYL)-1H-PURINE-2,6-DIONE
7-ethyltheophyllineamphetamine
1,3-dimethyl-7-(2-((1-phenylpropan-2-yl)amino)ethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1,3-dimethyl-7-{2-[(1-phenylpropan-2-yl)amino]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Fenetilina (Spanish)
Fenetyllinum (Latin)
DTXCID80197301
N06BA10
Fenetylline, (+)-
Fenethylline, (+)-
Fenetylline, (-)-
Fenethylline, (-)-
76284FBU6H
CP55WHR66R
UNII-76284FBU6H
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((1-methyl-2-phenylethyl)amino)ethyl)-, (+)-
802018-96-8
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((1-methyl-2-phenylethyl)amino)ethyl)-, (-)-
765207-54-3
NCGC00247730-01
Ethylteophylline amphetamine
DEA No. 1503
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(2-((1-METHYL-2-PHENYLETHYL)AMINO)ETHYL)-
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[(1-methyl-2-phenylethyl)amino]ethyl]-
D323
UNII-CP55WHR66R
SCHEMBL149145
CHEMBL2111152
CHEBI:135451
NMCHYWGKBADVMK-UHFFFAOYSA-N
HY-A0238
1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione
CS-6600
DB01482
NS00002184
D07944
Q27887794
7-[2-[(.alpha.-Methylphenethyl)amino]methyl]theophylline
1,3-Dimethyl-7-(2-[(1-methyl-2-phenylethyl)amino]ethyl)-3,7-dihydro-1H-purine-2,6-dione #