1,7-Dimethylxanthine-2,4,5,6-13C4-1,3,9-15N3

1,7-Dimethylxanthine-2,4,5,6-13C4-1,3,9-15N3 - Names and Identifiers

Name	1,7-Dimethylxanthine-[13C4,15N3] (paraxanthine)
Synonyms	1,7-DIMETHYLXANTHINE (PARAXANTHINE) 1,7-Dimethylxanthine-2,4,5,6-13C4-1,3,9-15N3 1,7-Dimethylxanthine-[13C4,15N3] (paraxanthine) 1,7-Dimethylxanthine (paraxanthine, 2,4,5,6-13C4 1,3,9-15N3) 1,7-DIMETHYLXANTHINE (PARAXANTHINE, 2,4,5,6-13C4 1,3,9-15N3)
CAS	1173018-79-5

1,7-Dimethylxanthine-2,4,5,6-13C4-1,3,9-15N3 - Physico-chemical Properties

Molecular Formula	C7H8N4O2
Molar Mass	187.22702
Melting Point	294-296°C
Solubility	DMSO (Slightly), Methanol (slightly, Heated)
Appearance	Solid
Color	White to Off-White
Storage Condition	-20°C

1,7-Dimethylxanthine-2,4,5,6-13C4-1,3,9-15N3 - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	22 - Harmful if swallowed
WGK Germany	3

1,7-Dimethylxanthine-2,4,5,6-13C4-1,3,9-15N3 - Introduction

1,7-dimethylxanthine-[13C4,15N3] (paraxanthine) (1,7-dimethylxanthine-[13C4,15N3] (paraxanthine)) is a compound containing carbon 13 and nitrogen 15 isotopic labels. It is a metabolite of caffeine and can also be used as a standard substance for pharmaceutical or research purposes.

The following are about the properties of 2,6-dihydroxy-1,7-dimethylpurine -13C4,15N3:

chemical formula: C8H8N4O2
Molecular weight: 196.18g/mol
Appearance: colorless crystalline powder
Solubility: Soluble in water and ethanol

2,6-dihydroxy -1,7-dimethylpurine -13C4,15N3 as a metabolite of caffeine, its main uses are as follows:

1. Biomedical research: As an important tool to study caffeine metabolism and caffeine pharmacokinetics.
2. In vivo metabolic markers: can be used as drugs and compounds in vivo metabolic markers.
3. Drug Analysis: Can be used as an internal standard for caffeine content analysis.

The preparation method of 2,6-dihydroxy -1,7-dimethylpurine-13c4, 15N3 can be achieved by the method of synthesizing caffeine markers. One possible synthesis path is as follows:

1. Start with caffeine: react caffeine with chemical reagents labeled carbon and nitrogen isotopes to produce labeled compounds.

in terms of safety information, the specific safety data of 2,6-dihydroxy-1,7-dimethylpurine -13C4,15N3 may need to be evaluated according to specific experimental conditions and uses. Generally follow the safe practice of chemicals and avoid inhalation, contact with skin or eating. If necessary, refer to the substance Safety Data Sheet (MSDS) of the compound or other reliable source of safety information provided by the supplier.

Last Update：2024-04-09 15:18:07