Theophylline-d6
Based on 1 Customer Validation
Theophylline-d6 is the deuterium labeled Theophylline. Theophylline is a nonselective phosphodiesterase (PDE) inhibitor, adenosine receptor blocker, and histone deacetylase (HDAC) activator.
For research use only. We do not sell to patients.
- Purity: 99.30%
- CAS No.: 117490-39-8
- Formula: C7H2D6N4O2
- Molecular Weight:186.20
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
1. This compound can be used as a tracer
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.
Chemical Information
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CAS No. 117490-39-8
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Unlabeled Cas 58-55-9
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Appearance Solid
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Molecular Weight 186.20
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Formula C7H2D6N4O2
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Color White to off-white
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SMILES
O=C(N1C([2H])([2H])[2H])N(C([2H])([2H])[2H])C2=C(N=CN2)C1=O
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Synonyms
1,3-Dimethylxanthine-d6; Theo-24-d6
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMF : ≥ 10 mg/mL (53.71 mM)
DMSO : ≥ 10 mg/mL (53.71 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Ethanol : ≥ 1 mg/mL (5.37 mM)
* "≥" means soluble, but saturation unknown.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Purity & Documentation
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Data Sheet (279 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [Content Brief]
[2]. Deree J, et al. Insights into the regulation of TNF-alpha production in human mononuclear cells: the effects of non-specific phosphodiesterase inhibition. Clinics (Sao Paulo). 2008 Jun;63(3):321-8. [Content Brief]
[3]. Marques LJ, et al. Pentoxifylline inhibits TNF-alpha production from human alveolar macrophages. Am J Respir Crit Care Med. 1999 Feb;159(2):508-11. [Content Brief]
[4]. Daly JW, et al. Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| Ethanol / DMF / DMSO | 1 mM | 5.3706 mL | 26.8528 mL | 53.7057 mL | 134.2642 mL |
| 5 mM | 1.0741 mL | 5.3706 mL | 10.7411 mL | 26.8528 mL | |
| DMF / DMSO | 10 mM | 0.5371 mL | 2.6853 mL | 5.3706 mL | 13.4264 mL |
| 15 mM | 0.3580 mL | 1.7902 mL | 3.5804 mL | 8.9509 mL | |
| 20 mM | 0.2685 mL | 1.3426 mL | 2.6853 mL | 6.7132 mL | |
| 25 mM | 0.2148 mL | 1.0741 mL | 2.1482 mL | 5.3706 mL | |
| 30 mM | 0.1790 mL | 0.8951 mL | 1.7902 mL | 4.4755 mL | |
| 40 mM | 0.1343 mL | 0.6713 mL | 1.3426 mL | 3.3566 mL | |
| 50 mM | 0.1074 mL | 0.5371 mL | 1.0741 mL | 2.6853 mL |
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