Ligand 1,7-dimethylxanthine

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Basic Ligand Information

Molecular Structure
Picture of 1,7-dimethylxanthine (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H8N4O2
1,7-dimethylxanthine
QUNWUDVFRNGTCO-UHFFFAOYSA-N
Synonyms:
paraxanthine


Show all pahtways known for Show all BRENDA pathways known for 1,7-dimethylxanthine

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (4 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
paraxanthine + O2 + NAD(P)H + H+ = 7-methylxanthine + NAD(P)+ + H2O + formaldehyde
show the reaction diagram
-
S-adenosyl-L-methionine + 1,7-dimethylxanthine = S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-

In Vivo Product in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
1,3,7-trimethylxanthine + O2 + NADPH + H+ = 1,7-dimethylxanthine + formaldehyde + NADP+ + H2O
show the reaction diagram
-
-

Substrate in Enzyme-catalyzed Reactions (10 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
1,7-dimethylxanthine + H2O + O2 = 1,7-dimethylurate + H2o2
show the reaction diagram
-
S-adenosyl-L-methionine + 1,7-dimethylxanthine = S-adenosyl-L-homocysteine + 1,3,7-trimethylxanthine
show the reaction diagram
-

Product in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
caffeine + O2 + NADH + H+ = paraxanthine + NAD+ + H2O + formaldehyde
show the reaction diagram
-
-

Activator in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
i.e. 1,7-dimethylxanthine, slight stimulation
-
i.e. 1,7-dimethylxanthine, slight stimulation
-

Inhibitor in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
about 9% inhibition at 0.01 mM
-
pH-dependent inhibition, overview
-

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (2 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
0.27
-
pH 7.5, 30°C, kinetic parameters for two-subunit N-demethylase component (Ndm), in the presence of saturating amounts of Ccr (reductase component with cytochrome c reductase activity) and 50 mM Fe2+
2.17
-
pH 7.5, 30°C

KM Value (7 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0504
-
pH 7.5, 30°C, kinetic parameters for two-subunit N-demethylase component (Ndm), in the presence of saturating amounts of Ccr (reductase component with cytochrome c reductase activity) and 50 mM Fe2+
0.053
-
pH 7.5, 30°C
0.973
-
recombinant DXMT1

IC50 Value (2 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE

References & Links

Links to other databases for 1,7-dimethylxanthine

ChEBI
PubChem
ChEBI
PubChem