Theophylline

Inquiry

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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