Caffeine
SIAL/C1778 - Sigma Reference Standard, vial of 250 mg
Synonym: 1,3,7-
CAS Number: 58-08-2
Empirical Formula (Hill Notation): C8H10N4O2
Molecular Weight: 194.19
EC Number: 200-362-1
MDL Number: MFCD00005758
Linear Formula: C8H10N4O2
Product Type: Chemical
| form | crystalline |
| powder | |
| grade | Sigma Reference Standard |
| InChI | 1S/C8H10N4O2/c1-10-4-9-6- |
| InChI key | RYYVLZVUVIJVGH-UHFFFAOYSA |
| mp | 234-236.5 °C (lit.) |
| packaging | vial of 250 mg |
| Quality Level | 200  |
| SMILES string | CN1C(=O)N(C)c2ncn(C)c2C1= |
| solubility | H2O: soluble 18.7 g/L at 16 °C |
| 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. |
| Other Notes: | Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. C1778.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin. |
| Packaging: | 1 vial in poly bottle |
| Packaging: | 5 vials in poly bottle |
| Packaging: | Supplied in amber screw-cap vials |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P264 - P270 - P301 + P312 - P501 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 1 |
| mp | 234-236.5 °C (lit.) |
| UNSPSC | 12352210 |