T4500
可可碱
≥98.0%, Phosphosdiesterase inhibitor
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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关于此项目
经验公式（希尔记法）:
C7H8N4O2
化学文摘社编号:
分子量:
180.16
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
41106305
EC Number:
201-494-2
MDL number:
Beilstein/REAXYS Number:
16464
Assay:
≥98.0%
Quality level:
产品名称
可可碱, ≥98.0%
Quality Level
assay
≥98.0%
mp
345-350 °C
solubility
H2O: slightly soluble, aqueous base: moderately soluble, ethanol: slightly soluble
SMILES string
[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 key
YAPQBXQYLJRXSA-UHFFFAOYSA-N
Gene Information
human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140)
rat ... Adora1(29290)
General description
Theobromine is a methylxanthine alkaloid derivative, highly present in cocoa.
Application
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
Biochem/physiol Actions
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.
Features and Benefits
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.
Preparation Note
Theobromine is moderately soluble in aqueous base and is slightly soluble in water and ethanol.
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Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2
存储类别
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
涉药品监管产品
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全球贸易项目编号
| 货号 | GTIN |
|---|---|
| T4500-25G | 04061835559312 |
| T4500-100G | 04061835546428 |