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T4500

Sigma-Aldrich

Theobromine

≥98.0%

Sinônimo(s):

2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine

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About This Item

Fórmula empírica (Notação de Hill):
C7H8N4O2
Número CAS:
83-67-0
Peso molecular:
180.16
Beilstein:
16464
Número CE:
201-494-2
Número MDL:
MFCD00022830
Código UNSPSC:
41106305
ID de substância PubChem:
24277679
NACRES:
NA.77

Ensaio

≥98.0%

pf

345-350 °C

solubilidade

H2O: slightly soluble
aqueous base: moderately soluble
ethanol: slightly soluble

cadeia de caracteres SMILES

[H]N1C(N(C)C2=C(N(C)C=N2)C1=O)=O

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)

chave InChI

YAPQBXQYLJRXSA-UHFFFAOYSA-N

Informações sobre genes

human ... ADORA1(134) , ADORA2A(135) , ADORA2B(136) , ADORA3(140)
rat ... Adora1(29290)

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Descrição geral

Theobromine is a methylxanthine alkaloid derivative, highly present in cocoa.

Aplicação

Theobromine has been used:
  • to test in behavioural assay
  • as a food or dietary supplement
  • as a standard for theobromine quantification in brewed coffee samples

Ações bioquímicas/fisiológicas

Theobromine possesses antitussive action and might be useful in treating acute and chronic cough. It is a catabolic product of caffeine and shows antioxidant and prooxidant properties.
Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant.

Características e benefícios

This compound is a featured product for Cyclic Nucleotide research. Click here to discover more featured Cyclic Nucleotide products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

Nota de preparo

Theobromine is moderately soluble in aqueous base and is slightly soluble in water and ethanol.

Pictogramas

Exclamation mark
GHS07

Palavra indicadora

Warning

Frases de perigo

H302,H319

Classificações de perigo

Acute Tox. 4 Oral - Eye Irrit. 2

Código de classe de armazenamento

11 - Combustible Solids

Classe de risco de água (WGK)

WGK 1

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°C)

Not applicable

Equipamento de proteção individual

dust mask type N95 (US), Eyeshields, Gloves

Certificados de análise (COA)

Busque Certificados de análise (COA) digitando o Número do Lote do produto. Os números de lote e remessa podem ser encontrados no rótulo de um produto após a palavra “Lot” ou “Batch”.

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Visite a Biblioteca de Documentos

Antioxidant and prooxidant properties of caffeine, theobromine and xanthine
Azam S, et al.
Medical Science Monitor : International Medical Journal of Experimental and Clinical Research, 9(9), BR325-BR330 (2004)
Theobromine inhibits sensory nerve activation and cough
Usmani OS, et al.
Faseb Journal (2004)
Development of a chromatographic low pressure flow injection system: Application to the analysis of methylxanthines in coffee
Santos JR and Antonio OSS Rangel
Analytica Chimica Acta, 715(17), 57-63 (2012)
Behavioral Analysis of Bitter Taste Perception in Drosophila Larvae
Kim H, et al.
Chemical Senses, 41(1), 85-94 (2016)
Murat Iskar et al.
Molecular systems biology, 9, 662-662 (2013-05-02)
In pharmacology, it is crucial to understand the complex biological responses that drugs elicit in the human organism and how well they can be inferred from model organisms. We therefore identified a large set of drug-induced transcriptional modules from genome-wide
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Cyclic nucleotides, including cyclic AMP (cAMP), cyclic GMP (cGMP) and cyclic ADP-ribose, have been extensively studied as second messengers of intracellular events initiated by activation of GPCRs. cAMP modifies cell function in all eukaryotic cells, principally through the activation of cAMP-dependent protein kinase (PKA), but also through cAMP-gated ion channels and guanine nucleotide exchange factors directly activated by cAMP.

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