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1,7-DIMETHYLXANTHINE

1,7-DIMETHYLXANTHINE Structure
1,7-DIMETHYLXANTHINE structure
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;13C,2H3]-Paraxanthine
CBNumber:
CB6674070
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.16
MDL Number:
MFCD00005727
MOL File:
611-59-6.mol
MSDS File:
SDS
Last updated:2024-03-19 13:53:49
Request For Quotation

1,7-DIMETHYLXANTHINE Properties

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
EWG's Food Scores 1
FDA UNII Q3565Y41V7
EPA Substance Registry System 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl- (611-59-6)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
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
NFPA 704
0
2 0

1,7-DIMETHYLXANTHINE price More Price(21)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich IMPC-051-03 Paraxanthine solution 1.0?mg/mL in methanol, ampule of 1?mL, certified reference material, Cerilliant? 611-59-6 1mL $66.4 2024-03-01 Buy
Sigma-Aldrich D5385 1,7-Dimethylxanthine ~98%, solid 611-59-6 100mg $210 2024-03-01 Buy
Sigma-Aldrich D5385 1,7-Dimethylxanthine ~98%, solid 611-59-6 500mg $333.6 2024-03-01 Buy
Sigma-Aldrich PHR2000 Caffeine Impurity F Pharmaceutical Secondary Standard; Certified Reference Material 611-59-6 50MG $564 2022-05-15 Buy
TCI Chemical D5696 1,7-Dimethylxanthine 611-59-6 25MG $79 2024-03-01 Buy
Product number Packaging Price Buy
IMPC-051-03 1mL $66.4 Buy
D5385 100mg $210 Buy
D5385 500mg $333.6 Buy
PHR2000 50MG $564 Buy
D5696 25MG $79 Buy

1,7-DIMETHYLXANTHINE Chemical Properties,Uses,Production

Description

Paraxanthine is an inhibitor of phosphodiesterase 9 (PDE9) and an antagonist of adenosine receptors A1 and A2 (Kis = 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

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

Uses

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

Uses

adenosine receptor agonist, CNS stimulant

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 synthesis

7499-88-9
611-59-6
Synthesis of 1,7-DIMETHYLXANTHINE from 1H-Purine-2,6-dione,3,7-dihydro-1,7-dimethyl-3-(phenylmethyl)-

1,7-DIMETHYLXANTHINE Preparation Products And Raw materials

Raw materials

Preparation Products

Theophylline

1,7-DIMETHYLXANTHINE Suppliers

Global( 143)Suppliers
Supplier Tel Email Country ProdList Advantage
SHANGHAI T&W PHARMACEUTICAL CO., LTD.
+86-021-61551413 +8618813727289 contact@trustwe.com China 5738 58
Guangzhou Tosun Pharmaceutical Limited
+8618922120635 sales@toref-standards.com China 1000 58
Hebei Mojin Biotechnology Co., Ltd 		+8613288715578 sales@hbmojin.com China 12453 58
Hebei Yanxi Chemical Co., Ltd. 		+8617531190177 peter@yan-xi.com China 5993 58
ARCTIC EXPORTS INC 		+1-3026880818 +1-3026880818 ARCTICEXPORTSINC@GMAIL.COM Canada 67 58
Capot Chemical Co.,Ltd. 		571-85586718 +8613336195806 sales@capotchem.com China 29797 60
Standardpharm Co. Ltd. 		86-714-3992388 overseasales1@yongstandards.com United States 14336 58
BOC Sciences 		+1-631-485-4226 inquiry@bocsci.com United States 19553 58
Zhengzhou Alfa Chemical Co.,Ltd 		+8618530059196 sale04@alfachem.cn China 12431 58
AFINE CHEMICALS LIMITED 		0571-85134551 info@afinechem.com CHINA 15377 58
Supplier Advantage
SHANGHAI T&W PHARMACEUTICAL CO., LTD.
58
Guangzhou Tosun Pharmaceutical Limited
58
Hebei Mojin Biotechnology Co., Ltd 		58
Hebei Yanxi Chemical Co., Ltd. 		58
ARCTIC EXPORTS INC 		58
Capot Chemical Co.,Ltd. 		60
Standardpharm Co. Ltd. 		58
BOC Sciences 		58
Zhengzhou Alfa Chemical Co.,Ltd 		58
AFINE CHEMICALS LIMITED 		58

Related articles

View Lastest Price from 1,7-DIMETHYLXANTHINE manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Caffeine EP impurity F pictures 2024-04-11 Caffeine EP impurity F
611-59-6
 US $0.00 / mg 1mg above 96% 50mg Guangzhou Tosun Pharmaceutical Limited
Paraxanthine 1,7-Dimethylxanthine pictures 2024-03-19 Paraxanthine 1,7-Dimethylxanthine
611-59-6
 US $1.00-1.00 / kg 10kg 99% 1000 ARCTIC EXPORTS INC
1,7-DIMETHYLXANTHINE pictures 2023-11-27 1,7-DIMETHYLXANTHINE
611-59-6
 US $0.00-0.00 / mg 100mg 99% 20kg Wuhan Senwayer Century Chemical Co.,Ltd

1,7-DIMETHYLXANTHINE Spectrum

1,7-DIMETHYLXANTHINE(611-59-6)1HNMR1,7-DIMETHYLXANTHINE(611-59-6)IR1,7-DIMETHYLXANTHINE(611-59-6)Raman

611-59-6(1,7-DIMETHYLXANTHINE)Related Search:

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

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1,7-dimethyl-3H-purine-2,6-dione 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 Paraxanthine solution 2,6-DIHYDROXY-1,7-DIMETHYLPURINE 3,7-dihydro-1,7-dimethyl-1h-purine-6-dione 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 Impurity F(EP) Caffeine Impurity 6(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 1,7-Dimethyl-1H-purine-2,6-dione, 1,7-Dimethylxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, Paraxanthine 1,7-diMethyl-1H-purine-2,6(3H,7H)-dione PARAXANTHINE Caffeine EP Impurity F 4H-1-Benzopyran-4-one,7-fluoro-2,3-dihydro-2,3-dimethyl- 3-Furancarboxylicacid,5-(chlorosulfonyl)-3-methyl-,methylester 13C,2H3]-Paraxanthine 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