MedKoo Cat#: 463107 | Name: Theophylline-d6
Featured

Description:

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

Theophylline-d6 is intended for use as an internal standard for the quantification of theophylline by GC- or LC-MS. Theophylline is an inhibitor of phosphodiesterase. It is also an adenosine A1 and A2 receptor antagonist. Theophylline induces relaxation of isolated cat bronchial smooth muscle segments precontracted with acetylcholine. It inhibits ovalbumin-induced increases in bronchoalveolar lavage fluid (BALF) eosinophil infiltration in an ovalbumin-sensitized mouse model of allergic asthma. Formulations containing theophylline have been used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).

Chemical Structure

Theophylline-d6
Theophylline-d6
CAS#117490-39-8 (deuterated)

Theoretical Analysis

MedKoo Cat#: 463107

Name: Theophylline-d6

CAS#: 117490-39-8 (deuterated)

Chemical Formula: C7H2D6N4O2

Exact Mass: 186.1024

Molecular Weight: 186.20

Elemental Analysis: C, 45.15; H, 7.57; N, 30.09; O, 17.18

Price and Availability

Size Price Availability Quantity
1mg USD 530.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Synonym
Theophylline-d6; 1,3-Dimethylxanthine-d6;
IUPAC/Chemical Name
1,3-bis(methyl-d3)-3,9-dihydro-1H-purine-2,6-dione
InChi Key
ZFXYFBGIUFBOJW-WFGJKAKNSA-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)/i1D3,2D3
SMILES Code
O=C1N(C(C2=C(N1C([2H])([2H])[2H])NC=N2)=O)C([2H])([2H])[2H]
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
Shelf Life
>3 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 186.20 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
Liu Y, Zhan Y, Zhang YF, Chen XY, Zhong DF. [Quantitative analysis of theophylline and its metabolites in urine of Chinese healthy subjects after oral administration of theophylline sustained-release tablets]. Yao Xue Xue Bao. 2014 Jul;49(7):1039-43. Chinese. PMID: 25233637.