05-0370

Caffeine

SAJ special grade, ≥98.5%

• Synonym(s): 1,3,7-Trimethylxanthine
• Empirical Formula (Hill Notation): C₈H₁₀N₄O₂
• CAS Number: 58-08-2
• Molecular Weight: 194.19
• Beilstein: 17705
• EC Number: 200-362-1
• MDL number: MFCD00005758
• PubChem Substance ID: 329748014

Properties

• grade: SAJ special grade
• assay: ≥98.5%
• form: crystalline; powder
• availability: available only in Japan
• mp: 234-236.5 °C (lit.)
• solubility: H₂O: soluble 18.7 g/L at 16 °C
• SMILES string: CN1C(=O)N(C)c2ncn(C)c2C1=O
• InChI: 1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
• InChI key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
• Gene Information: human ... ADORA1(134) , ADORA2A(135) , ADORA2B(136) , ADORA3(140) , PDE4B(5142)

Description

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves