Theobromine
Theobromine
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Theobromine

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Catalog Number PR83670
CAS 83-67-0
Synonyms 3,7-Dimethylxanthine; Diurobromine
IUPAC Name 3,7-dimethylpurine-2,6-dione
Molecular Weight 180.16
Molecular Formula C7H8N4O2
InChI 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
EC Number 201-494-2
Isomeric SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Packaging 25kg/drum; 570kg/bag; 850kg/bag
Standard BP/EP
Case Study

Health Benefits and Mechanisms of Theobromine

Zhang, Mengjuan, et al. Journal of Functional Foods, 2024, 115, 106126.

Theobromine is a member of the methylxanthine class of compounds with a variety of potential health benefits. Due to its low toxicity, wide range of uses, and the following multiple health benefits, theobromine can be used as an additive to functional foods.
Pharmacological Actions
Theobromine is a non-selective adenosine receptor antagonist and a competitive, non-selective phosphodiesterase inhibitor that disrupts the activity of poly (ADP-ribose) polymerase 1, allowing it to function physiologically.
Health Benefits
· Theobromine has neuroprotective properties, the ability to prevent neuronal damage, and enhance motor memory and cognitive regulation.
· Theobromine has anti-inflammatory effects on a variety of cell types, including macrophages and chondrocytes. Current research on the immunomodulatory effects of theobromine is mainly focused on the cellular level.
· Theobromine has a multifaceted mechanism for inhibiting obesity. Theobromine has the ability to promote the breakdown and thermogenesis of brown adipose tissue (BAT) and induce browning of white adipose tissue. In addition, theobromine effectively inhibited the differentiation of 3T3-L1 preadipocytes in a concentration-dependent manner by reducing the expression of key adipogenic markers, including PPARγ, C/EBPα, aP2, and leptin.
· Theobromine has the ability to inhibit uric acid crystallization, and the complex it forms with uric acid can also enhance water solubility and promote the excretion of stable kidney stones through urine. Therefore, theobromine shows the effect of preventing kidney stones and protecting the kidneys.

Validation of the Protective Effect of Theobromine-Treated Human Enamel Surfaces

Kargul, Betul, et al. Oral Health and Preventive Dentistry, 2012, 10(3), 275.

The aim of this in vitro study was to investigate the effects of two concentrations of theobromine on the hardness and morphology of human tooth enamel surfaces. The application of theobromine resulted in a sustained and significant protective effect on the enamel surface, according the microhardness values.
· Experimental Design
Enamel specimens were subjected to two experimental protocols: 1) Following a 5-minute treatment with theobromine (100 or 200 mg/l) or distilled water (control), specimens were immersed in distilled water for one week and analyzed using scanning electron microscopy (SEM); 2) After demineralization in acidic hydroxyethylcellulose and baseline microhardness measurement, specimens were treated with theobromine (100 or 200 mg/l) or distilled water (control) for 5 minutes, followed by remineralization for 18 hours and post-remineralization microhardness assessment.
· Results
SEM analysis revealed distinct surface morphologies. The control group exhibited a relatively smooth surface with minor pitting. Theobromine-treated specimens displayed concentration-dependent differences. The 200 mg/l group exhibited a greater abundance of surface globules compared to the 100 mg/l group. Microhardness measurements demonstrated superior enamel protection by the 200 mg/l theobromine concentration compared to the 100 mg/l concentration. Both theobromine treatment groups exhibited significant and consistent protection of the enamel surface against demineralization.

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