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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;13C,2H3]-Paraxanthine

CBNumber:: CB6674070

Molecular Formula:: C7H8N4O2

Molecular Weight:: 180.16

MOL File:: 611-59-6.mol

MSDS File:: SDS

Modify Date:: 2024/3/19 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
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)

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

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(6)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich(India)	PHR2000	Caffeine Impurity F Pharmaceutical Secondary Standard; Certified Reference Material	611-59-6	50MG	₹59710.7	2022-06-14	Buy
Sigma-Aldrich(India)	IMPC-051-03	Paraxanthine solution 1.0?mg/mL in methanol, ampule of 1?mL, certified reference material, Cerilliant?	611-59-6	1ML	₹6078.1	2022-06-14	Buy
Sigma-Aldrich(India)	D5385	1,7-Dimethylxanthine ~98%, solid	611-59-6	100MG	₹20654.1	2022-06-14	Buy
Sigma-Aldrich(India)	D5385	1,7-Dimethylxanthine ~98%, solid	611-59-6	500MG	₹67872.75	2022-06-14	Buy
TCI Chemicals (India)	D5696	1,7-Dimethylxanthine	611-59-6	25MG	₹4600	2022-05-26	Buy

Product number	Packaging	Price	Buy
PHR2000	50MG	₹59710.7	Buy
IMPC-051-03	1ML	₹6078.1	Buy
D5385	100MG	₹20654.1	Buy
D5385	500MG	₹67872.75	Buy
D5696	25MG	₹4600	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 (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

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

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.

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

Theophylline

1,7-DIMETHYLXANTHINE Suppliers

Global( 149)Suppliers

Supplier	Tel	Country	ProdList	Advantage	Inquiry
CLEARSYNTH LABS LTD.	+91-22-45045900	Hyderabad, India	6351	58	Inquiry
Pharma Affiliates	172-5066494	Haryana, India	6761	58	Inquiry
TCI Chemicals (India) Pvt. Ltd.	1800 425 7889	New Delhi, India	6778	58	Inquiry
Pharmaffiliates Analytics and Synthetics P. Ltd	+91-172-5066494	Haryana, India	6773	58	Inquiry
SynZeal Research Pvt Ltd	+1 226-802-2078	Gujarat, India	6522	58	Inquiry
SHANGHAI T&W PHARMACEUTICAL CO., LTD.	+86-021-61551413 +8618813727289	China	5738	58	Inquiry
Guangzhou Tosun Pharmaceutical Limited	+8618922120635	China	1000	58	Inquiry
Hebei Mojin Biotechnology Co., Ltd	+8613288715578	China	12458	58	Inquiry
Hebei Yanxi Chemical Co., Ltd.	+86-17531190177; +8617531190177	China	5959	58	Inquiry
ARCTIC EXPORTS INC	+1-3026880818 +1-3026880818	Canada	68	58	Inquiry

Supplier	Advantage
CLEARSYNTH LABS LTD.	58
Pharma Affiliates	58
TCI Chemicals (India) Pvt. Ltd.	58
Pharmaffiliates Analytics and Synthetics P. Ltd	58
SynZeal Research Pvt Ltd	58
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

The Synthesis and Hazards of 1,7-Dimethylxanthine
1,7-Dimethylxanthine is a naturally occurring alkaloid compound that can enhance alertness and reduce drowsiness.
Mar 5，2024

1,7-Dimethylxanthine: Pharmacokinetics, Activities and Toxicology
Paraxanthine, a caffeine metabolite, has longer half-life, less CNS stimulation. Enhances lipolysis, acts as diuretic. High do....
Jul 13，2023

1,7-DIMETHYLXANTHINE Spectrum

1,7-DIMETHYLXANTHINE(611-59-6)¹HNMR 1,7-DIMETHYLXANTHINE(611-59-6)IR 1,7-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