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Theophylline

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Identification
Molecular formula
C7H8N4O2
CAS number
58-55-9
IUPAC name
7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione
State
State

At room temperature, theophylline is in a solid state. It is commonly processed into a fine powder form for medicinal use.

Melting point (Celsius)
271.00
Melting point (Kelvin)
544.15
Boiling point (Celsius)
544.42
Boiling point (Kelvin)
817.57
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.3350g/cm3
Appearence

Theophylline typically appears as a white crystalline powder. It is odorless and has a slightly bitter taste. This compound is often encountered in powdered form, though it can also be found as tablets or capsules when used in medical applications.

Comment on solubility

Solubility of 7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione

The solubility of 7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione (C7H8N4O2) is influenced by its chemical structure and functional groups, making it a fascinating compound to study in aqueous environments. Here are some key points regarding its solubility:

  • Water Solubility: Compounds with hydroxyl groups (-OH) typically exhibit increased solubility in water due to their ability to form hydrogen bonds. Thus, the presence of the 2,3-dihydroxypropyl group may enhance its solubility in aqueous solutions.
  • Solvent Interactions: The partitioning of this compound into various solvent environments can vary significantly. For instance, its solubility might be more favorable in polar solvents compared to non-polar solvents.
  • pH Dependence: The solubility of this purine derivative could also be affected by the pH of the solution, as changes in protonation states could influence its interactions with water molecules.
  • Temperature Effects: Generally, increased temperature tends to enhance solubility for most solids; this compound may follow that trend, allowing for better dissolution at higher temperatures.

In summary, while specific numerical limits on solubility can be complex to ascertain without experimental data, the structural attributes of 7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione suggest that it is likely to exhibit **moderate to good solubility in water** and various organic solvents. Understanding these solubility characteristics is essential for applications in pharmaceuticals and biochemistry.

Interesting facts

Interesting Facts about 7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione

7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione, commonly referred to in scientific literature for its role in biochemistry, is a fascinating compound with several noteworthy characteristics:

  • Biological Significance: This compound is an important derivative of purines, which are vital components of nucleic acids. They play crucial roles in cellular processes, including DNA and RNA synthesis.
  • Metabolite Relation: Often seen as a metabolite of caffeine, this compound may impact various biochemical pathways within the body, highlighting its relevance in nutritional studies.
  • Potential Therapeutic Uses: Due to its structural similarity to known purine analogs, researchers are investigating this compound's potential in therapeutic applications, especially in the treatment of neurodegenerative disorders.

Chemical Structure Insights

The structure of 7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione showcases an interesting arrangement of functional groups that contributes to its biochemical behavior. Key features include:

  • Hydroxyl Groups: The presence of hydroxy groups in the dihydroxypropyl chain enhances the compound's reactivity and solubility.
  • Methyl Groups: The 1,3-dimethyl substitutions may influence the compound's interactions within biological systems, potentially affecting binding affinity at various receptors.

Research Applications

Ongoing studies are focusing on:

  • Investigating the role of this compound in energy metabolism.
  • Exploring its effects on neurotransmitter systems in the brain.
  • Understanding its interactions at a molecular level, which may lead to the discovery of new drug targets.

In conclusion, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione serves as a brilliant example of how a compound can bridge the gap between organic chemistry and critical biological functions. The exploration of its properties continues to inspire new avenues of research in the scientific community.

Synonyms
dyphylline
Diprophylline
479-18-5
Diphylline
7-(2,3-Dihydroxypropyl)theophylline
Lufyllin
Neothylline
Diprophyllin
Glyphylline
Protheophylline
Aristophyllin
Corphyllin
Diprofillin
Diprofilline
Dipropylline
Glyphyllin
Neophyllin
Neutrafillina
Neutraphyllin
Neutraphylline
Neutroxantina
Propyphyllin
Synthophylline
Hidroxiteofillina
Astrophyllin
Neostenovasan
Silbephyllin
Silbephylline
Asthmolysin
Coronarin
Glyfyllin
Hiphyllin
Hyphylline
Liactemin
Neotilina
Neutrafil
Purifilin
Solufilin
Solufyllin
Soluphyllin
Thefylan
Circain
Coronal
Droxine
Dyflex
Neophyl
Neufil
Tefilan
Teofen
Dilor
Theal
Neo-Vasophylline
COR-theophylline
AFI-Phyllin
Diprofilina
Astmamasit
Diprophyllinum
Glyphyllinum
Isophyllen
Circair
Dihydroxypropyl theophylline
Tesfen
Theal ampules
Neophyllin M
Dihydroxypropyl theopylin
Diprofillina
(1,2-Dihydroxy-3-propyl)thiophyllin
Dilor-400
7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine
Dyphilline
Iphyllin
7-(2,3-Dioxypropyl)theophylline
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
7-(beta,gamma-Dihydroxypropyl)theophylline
(+-)-dyphylline
Dyphylline (USP)
1,3-Dimethyl-7-(2,3-dihydroxypropyl)xanthine
Diprofilina [INN-Spanish]
Diprophyllinum [INN-Latin]
(+-)-diprophylline
MFCD00005759
HSDB 3322
(+-)-7-(2,3-Dihydroxypropyl)theophylline
EINECS 207-526-1
NSC 14305
NSC-14305
7-(2,3-Dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Dyphylline [USP]
7-[2,3-Dihydroxypropyl]-theophylline
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
UNII-263T0E9RR9
BRN 0284563
CHEBI:4728
Diprophylline [INN]
DTXSID6022975
Theophylline, 7-(2,3-dihydroxypropyl)-
263T0E9RR9
7-(2,3-Dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl
MLS000069403
DTXCID102975
(+/-)-7-(2,3-dihydroxypropyl)theophylline
5-26-14-00070 (Beilstein Handbook Reference)
NSC14305
7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMR000059068
Diprofillina [DCIT]
7-(2,3-dimethylxanthine
Diprofilina (INN-Spanish)
Dihydroxypropyltheophylline
Diprophyllinum (INN-Latin)
DYPHYLLINE (USP-RS)
DYPHYLLINE [USP-RS]
1,3-dihydroxypropyl)xanthine
DIPROPHYLLINE (MART.)
DIPROPHYLLINE [MART.]
Theophylline,3-dihydroxypropyl)-
DYPHYLLINE (USP MONOGRAPH)
DYPHYLLINE [USP MONOGRAPH]
DIPROPHYLLINE (EP MONOGRAPH)
DIPROPHYLLINE [EP MONOGRAPH]
Dihydroxypropyl theopylin (german)
7-(2,3-dihydroxypropyl)-theophylline
1H-PURINE-2,6-DIONE, 7-(2,3-DIHYDROXYPROPYL)-3,7-DIHYDRO-1,3-DIMETHYL-, (+/-)-
Lufyllin (TN)
7-(.beta.,.gamma.-Dihydroxypropyl)theophylline
WLN: T56 BN DN FNVNVJ B1YQ1Q F1 H1
SR-01000002972
Diprophylline (JAN/INN)
dyphyllyne
1H-Purine-2, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
NCGC00016455-01
Diprophylline,(S)
CAS-479-18-5
Prestwick_465
Dyphylline (Dilor)
DIPROPHYLLINEE
NEOSTENORASAN
PROPYLPHYLLIN
(+/-)-dyphylline
AFI-PHYLLINE
Diphylline (Standard)
(+/-)-diprophylline
Spectrum_000809
DYPHYLLINE [MI]
Opera_ID_1754
Prestwick0_000033
Prestwick1_000033
Prestwick2_000033
Prestwick3_000033
Spectrum2_000090
Spectrum3_000411
Spectrum4_000530
Spectrum5_000953
DYPHYLLINE [HSDB]
DYPHYLLINE [VANDF]
DIPROPHYLLINE [JAN]
SCHEMBL8192
CHEMBL1752
Oprea1_363458
BSPBio_000125
BSPBio_001962
KBioGR_001139
KBioSS_001289
MLS001076466
DivK1c_000022
SPECTRUM1500269
Diprophylline (7-(2,3-Dihydroxypropyl)theophylline)
SPBio_000020
SPBio_002046
DIPROPHYLLINE [WHO-DD]
BPBio1_000139
GTPL7070
DYPHYLLINE [ORANGE BOOK]
BDBM82016
HMS500B04
HY-B0128R
KBio1_000022
KBio2_001289
KBio2_003857
KBio2_006425
KBio3_001182
KSCFJBIXMNOVSH-UHFFFAOYSA-
R03DA01
NINDS_000022
HMS1568G07
HMS1920K08
HMS2091B13
HMS2095G07
HMS2232K09
HMS3372H13
HMS3654D18
HMS3712G07
HMS3884E19
Pharmakon1600-01500269
BCP02003
HY-B0128
NSC_3182
NSC40844
XCA37677
Tox21_110444
AC7833
BBL009638
CCG-38906
NSC-40844
NSC756753
s1504
STK796769
AKOS005203076
Tox21_110444_1
BCP9000631
CS-1901
DB00651
FD22634
NSC-756753
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-, (+-)-
IDI1_000022
SMP1_000108
NCGC00018099-02
NCGC00018099-03
NCGC00018099-04
NCGC00018099-05
NCGC00018099-06
NCGC00018099-09
NCGC00018099-10
NCGC00089736-02
NCGC00089736-03
NCGC00178894-01
NCGC00178894-02
AC-11186
AS-12460
CAS_479-18-5
SY011592
SBI-0051359.P003
DB-051485
AB00051977
D3600
NS00005860
SW196679-3
C07819
D00691
AB00051977-15
AB00051977_16
AB00051977_17
EN300-7392811
Q1073333
SR-01000002972-2
SR-01000002972-3
SR-01000002972-4
BRD-A00827783-001-05-5
BRD-A00827783-001-15-4
BRD-A00827783-001-23-8
BRD-A00827783-001-24-6
Diprophylline, European Pharmacopoeia (EP) Reference Standard
Dyphylline, United States Pharmacopeia (USP) Reference Standard
1H-PURINE-2,6-DIONE, 7(2,3-DIHYDROXYPROPYL)-3,7-DIHYDRO-1,3-DIMETHYL-
207-526-1
7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-purine-2,6-dione;Diprophylline;Dihydroxypropyltheophylline
InChI=1/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3