MedKoo Cat#: 318856 | Name: Theophylline
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Theophylline is a drug used in therapy for respiratory diseases such as chronic obstructive pulmonary disease (COPD) and asthma under a variety of brand names. As a member of the xanthine family, it bears structural and pharmacological similarity to theobromine and caffeine. Like other methylated xanthine derivatives, theophylline is both a competitive nonselective phosphodiesterase inhibitor, which raises intracellular cAMP, activates PKA, inhibits TNF-alpha and inhibits leukotriene synthesis, and reduces inflammation and innate immunity nonselective adenosine receptor antagonist, antagonizing A1, A2, and A3 receptors almost equally, which explains many of its cardiac effects.

Chemical Structure

Theophylline
Theophylline
CAS#58-55-9 (anhydrous)

Theoretical Analysis

MedKoo Cat#: 318856

Name: Theophylline

CAS#: 58-55-9 (anhydrous)

Chemical Formula: C7H8N4O2

Exact Mass: 180.0647

Molecular Weight: 180.17

Elemental Analysis: C, 46.67; H, 4.48; N, 31.10; O, 17.76

Price and Availability

Size Price Availability Quantity
1g USD 150.00 2 Weeks
5g USD 250.00 2 Weeks
10g USD 350.00 2 Weeks
25g USD 550.00 2 weeks
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Synonym
Theophylline, 1,3-dimethylxanthine, Accurbron; Aerobin; Aerolate; Afonilum; Retard; Anhydrous; Aquaphyllin; Armophylline.
IUPAC/Chemical Name
1,3-dimethyl-7H-purine-2,6-dione
InChi Key
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
InChi Code
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
SMILES Code
O=C(N1C)N(C)C2=C(NC=N2)C1=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 180.17 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL