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88308 Sigma-Aldrich

Theophylline

≥99.0% (HPLC)

Synonym: 1,3-Dimethylxanthine, 2,6-Dihydroxy-1,3-dimethylpurine, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione

  • CAS Number 58-55-9

  • Empirical Formula (Hill Notation) C7H8N4O2

  • Molecular Weight 180.16

  •  Beilstein/REAXYS Number 13463

  •  EC Number 200-385-7

  •  MDL number MFCD00079619

  •  PubChem Substance ID 329769646

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Properties

Related Categories Biochemicals and Reagents, Enzyme Inhibitors, Enzyme Inhibitors by Type, Enzymes, Inhibitors, and Substrates, Other More...
biological source   synthetic
assay   ≥99.0% (HPLC)
form   powder (with lumps)
loss   ≤0.5% loss on drying
mp   271-273 °C
solubility   water: 5.5 g/L at 19.9 °C
SMILES string   CN1C(=O)N(C)c2[nH]cnc2C1=O
InChI   1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChI key   ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Gene Information   human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE3A(5139), PDE3B(5140), PDE4A(5141), PDE4B(5142), PDE4C(5143), PDE4D(5144)

Description

Biochem/physiol Actions

Phosphodiesterase inhibitor; diuretic; cardiac stimulant; muscle relaxant; asthma medication.

Other Notes

Potent competitive inhibitor of cAMP phosphodiesterase

Safety & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
Personal Protective Equipment 
RIDADR 
UN 2811 6.1 / PGIII
WGK Germany 
1
RTECS 
XH3850000

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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