CHEBI:4728 - dyphylline

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ChEBI Name dyphylline
ChEBI ID CHEBI:4728
Definition An oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:681819
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Formula C10H14N4O4
Net Charge 0
Average Mass 254.24260
Monoisotopic Mass 254.102
InChI InChI=1S/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
InChIKey KSCFJBIXMNOVSH-UHFFFAOYSA-N
SMILES Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O
Roles Classification
Biological Role(s): EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*).
Application(s): bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
vasodilator agent
A drug used to cause dilation of the blood vessels.
muscle relaxant
A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
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ChEBI Ontology
Outgoing dyphylline (CHEBI:4728) has role bronchodilator agent (CHEBI:35523)
dyphylline (CHEBI:4728) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218)
dyphylline (CHEBI:4728) has role muscle relaxant (CHEBI:51371)
dyphylline (CHEBI:4728) has role vasodilator agent (CHEBI:35620)
dyphylline (CHEBI:4728) is a oxopurine (CHEBI:25810)
dyphylline (CHEBI:4728) is a propane-1,2-diols (CHEBI:26284)
Incoming (R)-dyphylline (CHEBI:59846) is a dyphylline (CHEBI:4728)
(S)-dyphylline (CHEBI:59847) is a dyphylline (CHEBI:4728)
IUPAC Name
7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
INNs Sources
diprofilina ChemIDplus
diprophylline WHO MedNet
diprophylline KEGG DRUG
diprophyllinum ChemIDplus
Synonyms Sources
(±)-7-(2,3-dihydroxypropyl)theophylline ChemIDplus
(±)-diprophylline ChEBI
(±)-dyphylline ChEBI
(1,2-dihydroxy-3-propyl)thiophyllin ChemIDplus
1,3-dimethyl-7-(2,3-dihydroxypropyl)xanthine ChemIDplus
7-(2,3-dihydroxypropyl)-1,3-dimethylxanthine ChemIDplus
7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione ChemIDplus
7-(2,3-dihydroxypropyl)theophylline ChemIDplus
7-(β,γ-dihydroxypropyl)theophylline ChemIDplus
Dihydroxypropyl theopylin ChemIDplus
Diprophylline ChEMBL
Diprophylline KEGG COMPOUND
Dyphylline KEGG COMPOUND
Database Links Databases
976 DrugCentral
C00030143 KNApSAcK
C07819 KEGG COMPOUND
D00691 KEGG DRUG
DB00651 DrugBank
Dyphylline Wikipedia
HMDB0014789 HMDB
LSM-4299 LINCS
US2575344 Patent
View more database links
Registry Numbers Types Sources
284563 Reaxys Registry Number Reaxys
284563 Beilstein Registry Number Beilstein
479-18-5 CAS Registry Number NIST Chemistry WebBook
479-18-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
28166217 PubMed citation Europe PMC
2886621 PubMed citation Europe PMC
3361424 PubMed citation Europe PMC
Last Modified
14 June 2017