Theophylline

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0549
CAS
58-55-9
Product Name
Theophylline
Structure

Product Details

Description
Theophylline is a tea alkaloid that functions as a nonselective PDE4 inhibitor. It can induce smooth muscle relaxation in the bronchiolae of asthma patients. It has been used to study its effects on rat gene expression in the ubiquitin-proteasome pathway that regulates spermatogenesis and epididymal sperm quality. It has also been used as an internal standard for the measurement of plasma paracetamol levels in humans.
Nutritional supplement in health care products.
Synonyms
1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; 1,3-Dimethylxanthine; 3,7-Dihydro-1,3Ddimethyl-1H-purine-2,6-dione; 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-
IUPAC Name
1,3-dimethyl-7H-purine-2,6-dione
Molecular Weight
180.17
Molecular Formula
C7H8N4O2
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC=N2
InChI
1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChIKey
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Melting Point
271-273 °C
Flash Point
228.4°C
Purity
>98%
Density
1.465 g/cm³
Solubility
Soluble in DMSO
Appearance
White crystalline
Application
Ingredient of health care products.
Shelf Life
As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly
Storage
Store at -20 °C
Form
Powder
Packaging
250 g
Refractive Index
1.737
Stability
Stable. Incompatible with strong oxidizing agents.
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