1,3,7-Trimethyluric acid

Modify Date: 2024-01-02 20:20:57

1,3,7-Trimethyluric acid structure	Common Name	1,3,7-Trimethyluric acid
	CAS Number	5415-44-1	Molecular Weight	210.190
	Density	1.6±0.1 g/cm3	Boiling Point	476.7ºC at 760mmHg
	Molecular Formula	C₈H₁₀N₄O₃	Melting Point	≥300ºC
	MSDS	N/A	Flash Point	242.1ºC

Use of 1,3,7-Trimethyluric acid

1,3,7-Trimethyluric acid is the metabolite of caffeine. The metabolic ratio 1,3,7-Trimethyluric acid to caffeine can be evaluated as a biomarker to describe variability in CYP3A activity in a cohort[1].

Name	1,3,7-trimethyluric acid
Synonym	More Synonyms

Description	1,3,7-Trimethyluric acid is the metabolite of caffeine. The metabolic ratio 1,3,7-Trimethyluric acid to caffeine can be evaluated as a biomarker to describe variability in CYP3A activity in a cohort[1].
Related Catalog	Research Areas >> Cancer
Target	Human Endogenous Metabolite
References	[1]. Y Benchekroun, et al. Isotopic effects on retention times of caffeine and its metabolites 1,3,7-trimethyluric acid, theophylline, theobromine and paraxanthine. J Chromatogr B Biomed Sci Appl. 1997 Jan 24;688(2):245-54. [2]. Madelé van Dyk, et al. Identification of the caffeine to trimethyluric acid ratio as a dietary biomarker to characterise variability in cytochrome P450 3A activity. Eur J Clin Pharmacol. 2019 Sep;75(9):1211-1218.

Density	1.6±0.1 g/cm3
Boiling Point	476.7ºC at 760mmHg
Melting Point	≥300ºC
Molecular Formula	C₈H₁₀N₄O₃
Molecular Weight	210.190
Flash Point	242.1ºC
Exact Mass	210.075287
PSA	81.79000
LogP	0.06
Index of Refraction	1.661

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UP0783750

CHEMICAL NAME :: 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7-trimethyl-

CAS REGISTRY NUMBER :: 5415-44-1

LAST UPDATED :: 199403

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H10-N4-O3

MOLECULAR WEIGHT :: 210.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #93-43463

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #93-43463

HS Code	2933990090

Precursor 10
CAS#:58-08-2 Caffeine CAS#:42297-40-5 1,3,7-trimethyl... CAS#:4921-49-7 1H-Purine-2,6-d... CAS#:58-55-9 Theophylline
CAS#:2099-73-2 1,3-Dimethyl-8-... CAS#:69-93-2 Uric Acid CAS#:74-88-4 methyl iodide CAS#:33868-03-0 1,7-Dimethyluri...
CAS#:605-99-2 3-METHYLURIC ACID CAS#:590-28-3 Potassium cyanate
DownStream 10
CAS#:74-89-5 methylamine CAS#:7664-41-7 Ammonia CAS#:57-13-6 Urea CAS#:598-50-5 1-Methylurea
CAS#:2757-85-9 2,4,5,6(1H,3H)-... CAS#:5176-82-9 N,N'-dimethylpa... CAS#:615-35-0 NN'-Dimethyloxamide CAS#:1022129-88-9 3,8-dimethyl-1-...
CAS#:2309-49-1 Tetramethyluric acid CAS#:4921-49-7 1H-Purine-2,6-d...

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Uric acid, 1,3,7-trimethyl- (VAN) (8CI)

Trimethyluric acid

uric acid, 1,3,7-trimethyl-

BA 2753

1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

1,3,7-trimethylurate

1,3,7-Trimethyl-harnsaeure

1,3,7-Trimethyluric acid

1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7-trimethyl-

2,6,8-Trihydroxy-1,3,7-trimethylpurine

1,3,7-trimethyl-7,9-dihydro-3H-purine-2,6,8-trione

8-oxy-caffeine

1,3,7-trimethyl-9H-purine-2,6,8-trione

Trimethyl uric acid

Uric acid, 1,3,7-trimethyl- (6CI,7CI,8CI)

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 1,3,7-Trimethyluric Acid
Price: Click To Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

DC Chemicals Limited
China
Product Name: 1,3,7-Trimethyluric acid
Price: $Inquiry/100mg $Inquiry/250mg $Inquiry/1g
Purity: 98.0%
Delivery: 3 Day
Contact: Tony Cao
Email: sales@dcchemicals.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1,3,7-trimethyl-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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