molecular formula C15H16N4O4 B1195672 Caffeine benzoate CAS No. 5743-17-9

Caffeine benzoate

Número de catálogo: B1195672
Número CAS: 5743-17-9
Peso molecular: 316.31 g/mol
Clave InChI: VXXKVQICUHMECR-UHFFFAOYSA-N
Atención: Solo para uso de investigación. No para uso humano o veterinario.
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Descripción

Caffeine benzoate, also known as this compound, is a useful research compound. Its molecular formula is C15H16N4O4 and its molecular weight is 316.31 g/mol. The purity is usually 95%.
The exact mass of the compound this compound is unknown and the complexity rating of the compound is unknown. The storage condition is unknown. Please store according to label instructions upon receipt of goods.Use and application categories indicated by third-party sources: Cosmetics -> Skin conditioning. However, this does not mean our product can be used or applied in the same or a similar way.
BenchChem offers high-quality this compound suitable for many research applications. Different packaging options are available to accommodate customers' requirements. Please inquire for more information about this compound including the price, delivery time, and more detailed information at [email protected].

Aplicaciones Científicas De Investigación

Dermatological Applications

Caffeine Benzoate as a Sunscreen Agent

This compound has been studied for its potential as a topical agent that enhances UV protection. Research indicates that it significantly inhibits UVB-induced skin damage, including the formation of thymine dimers, which are precursors to skin cancer. In studies involving SKH-1 hairless mice, topical application of this compound resulted in:

  • 90% inhibition of UVB-induced thymine dimers.
  • Enhanced apoptosis in UVB-irradiated skin, with this compound showing a 2- to 3-fold greater effect compared to caffeine alone .

Tumor Prevention

This compound has demonstrated efficacy in preventing skin tumors induced by UV radiation. In chronic UVB exposure studies, it was found to inhibit tumor formation and reduce tumor size significantly:

  • 76% reduction in the total number of skin tumors per mouse with a 6% concentration of this compound.
  • 88% decrease in the number of squamous cell carcinomas .

Psychiatric Applications

Augmentation in Electroconvulsive Therapy

Recent studies have explored the use of this compound as an augmentation agent in electroconvulsive therapy (ECT). In a clinical trial involving 71 patients:

  • Administration of 500 mg this compound increased seizure duration by an average of 24.1 seconds , enhancing the efficacy of ECT.
  • Patients receiving this compound exhibited improved seizure response rates, which is crucial for effective treatment outcomes .

Neurobehavioral Effects

Impact on Adolescent Behavior

Research has also investigated the neurobehavioral effects of this compound when combined with sodium benzoate in adolescent rats. Key findings include:

  • Increased motor activity and improved recognition memory associated with sodium benzoate and caffeine co-administration.
  • However, adverse effects on working memory were observed at higher doses, indicating potential risks when combined with processed foods containing sodium benzoate .

Data Summary Table

Application AreaFindingsConcentration/Method
Dermatology 90% inhibition of thymine dimers; enhanced apoptosisTopical application (6% solution)
76% reduction in skin tumorsChronic UVB exposure studies
Psychiatry Increased seizure duration by 24.1 seconds during ECTIntravenous administration (500 mg)
Neurobehavioral Effects Improved motor activity; recognition memory enhancementAdolescent rat studies

Case Studies

  • Skin Cancer Prevention Study
    • Objective: To evaluate the effectiveness of this compound in preventing UVB-induced skin tumors.
    • Results: Significant reductions in both tumor incidence and size were observed with regular topical applications over an extended period.
  • ECT Augmentation Study
    • Objective: To assess the impact of this compound on seizure duration during ECT.
    • Results: Patients demonstrated increased seizure durations and improved clinical outcomes compared to those not receiving this compound.

Propiedades

Número CAS

5743-17-9

Fórmula molecular

C15H16N4O4

Peso molecular

316.31 g/mol

Nombre IUPAC

benzoic acid;1,3,7-trimethylpurine-2,6-dione

InChI

InChI=1S/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9)

Clave InChI

VXXKVQICUHMECR-UHFFFAOYSA-N

SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)C(=O)O

SMILES canónico

CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)C(=O)O

Key on ui other cas no.

5743-17-9

Números CAS relacionados

8000-95-1 (hydrochloride salt)

Sinónimos

caffeine - sodium benzoate
caffeine benzoate
caffeine, sodium benzoate drug combination

Origen del producto

United States

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