DC Chemicals Limited
China
Product Name: 1,3,7-Trimethyluric acid
Price: $Inquiry/100mg $Inquiry/250mg $Inquiry/1g
Purity: 98.0%
Stocking Period: 3 Day
Contact: Tony Cao

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%
Stocking Period: Inquiry
Contact: Ms Wang

5415-44-1

5415-44-1 structure

5415-44-1 structure

Name: 1,3,7-Trimethyluric acid
Chemical Name: 1,3,7-trimethyluric acid
CAS Number: 5415-44-1
Molecular Formula: C₈H₁₀N₄O₃
Molecular Weight: 210.190
Catalog: Research Areas Cancer
Create Date: 2018-09-21 16:20:53
Modify Date: 2024-01-02 20:20:57
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
Synonyms	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)

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
58-08-2 42297-40-5 4921-49-7 58-55-9
2099-73-2 69-93-2 74-88-4 33868-03-0
605-99-2 590-28-3
DownStream 10
74-89-5 7664-41-7 57-13-6 598-50-5
2757-85-9 5176-82-9 615-35-0 1022129-88-9
2309-49-1 4921-49-7

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%