1-(3-carboxypropyl)3,7-dimethyl Xanthine-d6

Product Name 1-(3-carboxypropyl)3,7-dimethyl Xanthine-d6
CAT No. CS-BV-00018
CAS No. 1246816-64-7
Category Stable Isotopes
Stock IN-Stock
Mol. Wt. 272.29 g/mol
Mol. For. C₁₁H₈D₆N₄O₄
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Canonical Smiles CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)O
InchIKey WKASGTGXOGALBG-WFGJKAKNSA-N
Inchl InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)/i1D3,2D3
IUPAC 4-[2,6-dioxo-3,7-bis(trideuteriomethyl)purin-1-yl]butanoic acid
Controlled No
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1-(3-carboxypropyl)3,7-dimethyl Xanthine-d6, also known as DPX-d6, is a labeled derivative of the xanthine alkaloid, caffeine. This compound has six deuterium atoms replacing six hydrogen atoms in its structure. It is commonly used as an internal standard in mass spectrometry-based analytical methods for quantification of caffeine in biological samples. DPX-d6 is a white crystalline powder with a molecular weight of 242.3 g/mol. It is soluble in organic solvents such as methanol, ethanol, and acetonitrile. This compound is stable under normal laboratory conditions and can be stored for long periods at room temperature. 1-(3-carboxypropyl)3,7-dimethyl Xanthine-d6 is a potent inhibitor of adenosine receptors, which are involved in the regulation of several physiological processes, including the cardiovascular, nervous, and immune systems. Caffeine, the non-labeled version of DPX-d6, is a widely consumed stimulant that can improve cognitive function, alertness, and mood. In conclusion, DPX-d6 is a useful tool for researchers investigating the pharmacokinetics and metabolism of caffeine, as well as the effects of caffeine and its derivatives on adenosine receptors. Its stable and soluble properties make it an ideal internal standard for mass spectrometry-based quantification methods.

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