1,7-DIMETHYLXANTHINE

ChemicalBook > CAS DataBase List > 1,7-DIMETHYLXANTHINE

1,7-DIMETHYLXANTHINE

Product Name: 1,7-DIMETHYLXANTHINE
CAS No.: 611-59-6
Chemical Name: 1,7-DIMETHYLXANTHINE
Synonyms: PARAXANTHINE;Caffeine EP Impurity F;1,7-diMethyl-1H-purine-2,6(3H,7H)-dione;1,7-Dimethyl-1H-purine-2,6-dione, 1,7-Dimethylxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, Paraxanthine;Paraxanthin;Paraxanthine-d3;Caffeine IMpurity F;1,7-DIMETHYLXANTHINE;Paraxanthine solution;Caffeine Impurity F(EP)
CBNumber: CB6674070
Molecular Formula: C7H8N4O2
Formula Weight: 180.16
MOL File: 611-59-6.mol

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1,7-DIMETHYLXANTHINE Property

Melting point:: 294-296 °C (lit.)
Boiling point:: 312.97°C (rough estimate)
Density: 1.3640 (rough estimate)
refractive index: 1.6700 (estimate)
Flash point:: 9℃
storage temp.: room temp
solubility: ethanol: 0.6mg/mL
form: solid
pka: pKa 8.5 (Uncertain)
color: white
BRN: 197907
Stability:: Store tightly sealed at RT
InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChIKey: QUNWUDVFRNGTCO-UHFFFAOYSA-N
SMILES: N1(C)C2=C(NC(=O)N(C)C2=O)N=C1
EPA Substance Registry System: 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl- (611-59-6)

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Safety

Hazard Codes: Xn,T,F
Risk Statements: 22-39/23/24/25-23/24/25-11
Safety Statements: 22-24/25-45-36/37-16-7
RIDADR: UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany: 3
RTECS: RV9380000
HS Code: 2933.59.9500
Toxicity: mmo-esc 150 mg/L CSHSAZ 16,337,52

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word: Warning
Hazard statements: H302Harmful if swallowed

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: IMPC-051-03
Product name: Paraxanthine solution
Purity: 1.0?mg/mL in methanol, ampule of 1?mL, certified reference material, Cerilliant?
Packaging: 1mL
Price: $66.4
Updated: 2024/03/01

Sigma-Aldrich

Product number: D5385
Product name: 1,7-Dimethylxanthine
Purity: ~98%, solid
Packaging: 100mg
Price: $210
Updated: 2024/03/01

Sigma-Aldrich

Product number: D5385
Product name: 1,7-Dimethylxanthine
Purity: ~98%, solid
Packaging: 500mg
Price: $333.6
Updated: 2024/03/01

Sigma-Aldrich

Product number: PHR2000
Product name: Caffeine Impurity F
Purity: Pharmaceutical Secondary Standard; Certified Reference Material
Packaging: 50MG
Price: $564
Updated: 2022/05/15

TCI Chemical

Product number: D5696
Product name: 1,7-Dimethylxanthine
Packaging: 25MG
Price: $79
Updated: 2024/03/01

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1,7-DIMETHYLXANTHINE Chemical Properties,Usage,Production

Description

Paraxanthine is an inhibitor of phosphodiesterase 9 (PDE9) and an antagonist of adenosine receptors A₁ and A₂ (K_is = 35 and 22 μM, respectively in equine forebrain tissues). It is the main metabolite of caffeine in humans, making up 80% of the three dimethylxanthine metabolites produced by caffeine demethylation. Paraxanthine increases locomotor activity and counteracts adenosine receptor agonist-induced motor depression in rats not habituated to caffeine. At a dose of 30 mg/kg, paraxanthine induces a significant increase in striatal cGMP and extracellular striatal dopamine concentrations in vivo. It also promotes wakefulness and increases locomotor activity and core temperature in narcoleptic transgenic mice without increasing behavioral anxiety.

Chemical Properties

Off-White to Pale Yellow Solid

Uses

adenosine receptor agonist, CNS stimulant

Uses

Paraxanthine is an adenosine receptor ligand and a major metabolite of caffeine.This compound is a contaminant of emerging concern (CECs).

Uses

1,7-Dimethylxanthine has been used for the quantification of caffeine by high-performance liquid chromatography (HPLC).

Definition

ChEBI: 1,7-dimethylxanthine is a dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals. It has a role as a central nervous system stimulant, a human xenobiotic metabolite, a human blood serum metabolite and a mouse metabolite.

General Description

Paraxanthine is a major plasma and urinary metabolite of caffeine. This xanthine derivative is, along with caffeine, a central nervous system stimulant. This Snap-N-Spike^? reference solution is applicable for caffeine quantitation in clinical toxicology or urine drug testing by LC-MS/MS or GC/MS.

Biochem/physiol Actions

Adenosine receptor ligand; major metabolite of caffeine

Safety Profile

An experimental teratogen. Mutation data reported. Whenheated to decomposition it emits toxic fumes of NOx.

1,7-DIMETHYLXANTHINE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 1,7-DIMETHYLXANTHINE manufacturers

Guangzhou Tosun Pharmaceutical Limited

Product: Caffeine EP impurity F 611-59-6
Price: US $0.00/mg
Min. Order: 1mg
Purity: above 96%
Supply Ability: 50mg
Release date: 2023-05-29

ARCTIC EXPORTS INC

Product: Paraxanthine 1,7-Dimethylxanthine 611-59-6
Price: US $1.00-1.00/kg
Min. Order: 10kg
Purity: 99%
Supply Ability: 1000
Release date: 2024-03-19

Hebei Yanxi Chemical Co., Ltd.

Product: 1,7-DIMETHYLXANTHINE 611-59-6
Price: US $30.00-8.00/kg
Min. Order: 1kg
Purity: 0.99
Supply Ability: 10 tons
Release date: 2023-09-27

611-59-6, 1,7-DIMETHYLXANTHINERelated Search:

PROXYPHYLLINE 1,3-DIMETHYLXANTHINE-7-ACETIC ACID 7-(2-CHLOROETHYL)THEOPHYLLINE CAFFEINE CITRATED 1,3-Dipropyl-7-methylxanthine 1-(2-Propynyl)-3,7-dimethylxanthine 1,7-DIMETHYLXANTHINE CAFFEINE-SODIUM BENZOATE 7-(2-HYDROXYETHYL)THEOPHYLLINE Diprophylline CAFFEINE Xanthinol nicotinate 1-(3-CHLOROPROPYL)-3,7-DIMETHYLXANTHINE Pentoxifylline Theophylline 7-Isobutyl-1,3-dimethylxanthine 1,3-Dimethylxanthine calcium 3,7-DIMETHYLXANTHINE

1,7-Dimethyl-1H-purine-2,6-dione, 1,7-Dimethylxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, Paraxanthine

1,7-dimethyl-3H-purine-2,6-dione

Caffeine Impurity F(EP)

Caffeine Impurity 6(Caffeine EP Impurity F)

1,7-Dimethyl-1H-purine-2,6-dione, 2,6-Dihydroxy-1,7-dimethylpurine, Paraxanthine

1,7-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

1,7-Dimethylxanthine-[13C4,15N3] (para-xanthine)

1,7-Dimethylxanthine-[2H6] (para-xanthine)

Paraxanthine-d3

IMp. F (EP): 1,7-DiMethyl-3,7-dihydro-1H-purine-2,6-dione(Paraxanthine

Caffeine IMpurity F

1,7-diMethyl-1H-purine-2,6(3H,7H)-dione

Paraxanthine solution

2,6-DIHYDROXY-1,7-DIMETHYLPURINE

3,7-dihydro-1,7-dimethyl-1h-purine-6-dione

PARAXANTHINE

1,7-DIMETHYLXANTHINE

3,7-dihydro-1,7-dimethyl-1H-purine-2,6-dione

1,7-DIMETHYLXANTHINE >95% (PARAXANTHINE) LIGAND

1,7-dimethyl-1h-purine-2,6-dione

Caffeine EP Impurity F

Caffeine EP Impurity F (Paraxanthine)

3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion

1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-

Paraxanthin

4H-1-Benzopyran-4-one,7-fluoro-2,3-dihydro-2,3-dimethyl-

3-Furancarboxylicacid,5-(chlorosulfonyl)-3-methyl-,methylester

Paraxanthine 1,7-Dimethylxanthine

Caffeine Related Compound F (20 mg) (1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione)

611-59-6

Building Blocks

BioChemical

Cell Signaling and Neuroscience

Cell Biology

Cyclic Nucleotide Metabolism

G Proteins and Cyclic Nucleotides

Heterocyclic Building Blocks

Purines

Phosphodiesterase Inhibitors

Isolabel

Amines

Heterocycles

Metabolites & Impurities

Phosphorylating and Phosphitylating Agents

Various Metabolites and Impurities

Metabolites