Substance
ID:359915
Names and Identifiers
Synonyms
咖啡因1,3,7-三甲基黄嘌呤Caffeine1,3,7-Trimethylxanthine咖啡因Coffeinum
IUPAC Traditional name
caffeine
IUPAC name
1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Registration numbers
MDL Number
Beilstein Number
CAS Number
EC Number
PubChem SID
Properties
Safety Information
German water hazard class
1
European Hazard Symbols
Harmful (Xn)GHS Hazard statements
H302
Hazard Class
6.1
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
UN Number
1544
Packing Group
3
GHS Signal Word
Warning
RTECS
EV6475000
RID/ADR
UN 1544 6.1/PG 3
MSDS Link
Risk Statements
22
Product Information
Pharmacopeia
testing & handling conforms to Pharmacopeia
Grade
Ph Eur
Empirical Formula (Hill Notation)
C8H10N4O2
Suitability
suitable for 1694 per US EPA
Pharmacology Properties
Gene Information
human ... ADORA1(134), ADORA2B(136), ADORA3(140), PDE4B(5142)mouse ... Adora2b(11541)rat ... Adora1(29290), Adora2a(25369)
Physical Property
Melting Point
234-236.5 °C(lit.)
Molecule Details
Biochem/physiol Actions
A central nervous system stimulant believed to act through adenosine receptors and monoamine neurotransmitters. It is an adenosine receptor antagonist and adenosine 3′,5′-cyclic monophosphate (cAMP) phosphodiesterase inhibitor. Thus, levels of cAMP increase in cells following treatment with caffeine. It has been reported to affect cellular calcium levels, releasing calcium from intracellular stores. It overrides the cell cycle effects of various chemicals such as protease inhibitors, preventing apoptosis; and it has been shown to inhibit cellular DNA repair mechanisms.
A central nervous system stimulant believed to act through adenosine receptors and monoamine neurotransmitters. It is an adenosine receptor antagonist and adenosine 3′,5′-cyclic monophosphate (cAMP) phosphodiesterase inhibitor. Thus, levels of cAMP increase in cells following treatment with caffeine. It has been reported to affect cellular calcium levels, releasing calcium from intracellular stores. It overrides the cell cycle effects of various chemicals such as protease inhibitors, preventing apoptosis; and it has been shown to inhibit cellular DNA repair mechanisms.
Molecular Spectra
No Data Available
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References
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