Theobromine

Theobromine is a methylxanthine alkaloid and derivative of caffeine (Cay-14118) that has been found in cocoa beans and has diverse biological activities. It is an adenosine A1 receptor antagonist (IC50s = 200-280 µM in radioligand binding assays using rat brain membranes). Theobromine (150 µg/ml) increases AMPK phosphorylation and inhibits adipocyte differentiation, ERK and JNK phosphorylation, and IL-6 and TNF-alpha production in 3T3-L1 preadipocytes cultured in differentiation medium. It inhibits decreases in renal cortex SIRT1 activity and increases in NADPH oxidase-dependent reactive oxygen species (ROS) production, as well as reduces kidney hypertrophy and albuminuria in a spontaneously hypertensive rat model of streptozotocin-induced diabetes when administered at a dose of 5 mg/kg per day. Theobromine is toxic to dogs with an LD50 value of 250 to 500 mg/kg.Formal Name: 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione. CAS Number: 83-67-0. Synonyms: Diurobromine, NSC 5039, SC-15090. Molecular Formula: C7H8N4O2. Formula Weight: 180.2. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/ml, DMSO: 30 mg/ml, DMSO:PBS(pH 7.2) (1:3): 0.25 mg/ml, Ethanol: 0.5 mg/ml. lambdamax: 273 nm. SMILES: O=C(C(N(C)C=N1)=C1N2C)NC2=O. InChi Code: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13). InChi Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N.