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Merck

T4500

Sigma-Aldrich

可可碱

≥98.0%

别名:

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

经验公式(希尔记法):
C7H8N4O2
CAS号:
分子量:
180.16
Beilstein:
16464
EC號碼:
MDL號碼:
分類程式碼代碼:
41106305
PubChem物質ID:
NACRES:
NA.77

化驗

≥98.0%

mp

345-350 °C

溶解度

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

SMILES 字串

[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)

InChI 密鑰

YAPQBXQYLJRXSA-UHFFFAOYSA-N

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一般說明

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

應用

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

生化/生理作用

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.

特點和優勢

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.

準備報告

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

象形圖

Exclamation mark

訊號詞

Warning

危險聲明

危險分類

Acute Tox. 4 Oral - Eye Irrit. 2

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 1

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves


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其他客户在看

Theobromine inhibits sensory nerve activation and cough
Usmani OS, et al.
Faseb Journal (2004)
A subset of enteroendocrine cells is activated by amino acids in the Drosophila midgut
Park JH, et al.
Febs Letters (2006)
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)
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
Behavioral Analysis of Bitter Taste Perception in Drosophila Larvae
Kim H, et al.
Chemical Senses, 41(1), 85-94 (2016)

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