Isocaffeine

Isocaffeine Structure
Isocaffeine structure
Common Name Isocaffeine
CAS Number 519-32-4 Molecular Weight 194.191
Density 1.5±0.1 g/cm3 Boiling Point 416.8±37.0 °C at 760 mmHg
Molecular Formula C8H10N4O2 Melting Point 288-290ºC (dec.)
MSDS Chinese USA Flash Point 205.9±26.5 °C

Inhibition of inositol trisphosphate-induced calcium release by caffeine is prevented by ATP.

Biochem. J. 300 , 81-84, (1994)

We have investigated the effect of various methylxanthines on the basal and InsP3-stimulated unidirectional 45Ca2+ efflux from permeabilized A7r5 cells under different experimental conditions. We report that caffeine and theophylline inhibit the InsP3-induced...

Determination of caffeine and its metabolites in urine by high-performance liquid chromatography and capillary electrophoresis.

Scand. J. Clin. Lab. Invest. 54 , 305-315, (1994)

Caffeine (CA) and its 14 main metabolites were determined in urine by reversed-phase high-performance liquid chromatography (RP-HPLC) and capillary electrophoresis (CE). After addition of 1,3,9-trimethylxanthine, uracil and beta-hydroxyethyltheophylline as in...

Computational study of the binding modes of caffeine to the adenosine A2A receptor.

J. Phys. Chem. B 115(47) , 13880-90, (2011)

Using the recently solved crystal structure of the human adenosine A(2A) receptor, we applied MM/PBSA to compare the binding modes of caffeine with those of the high-affinity selective antagonist ZM241385. MD simulations were performed in the environment of t...