1,3,7-Trimethyluric acid

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MedKoo CAT#: 584120

CAS#: 5415-44-1

Description: 1,3,7-Trimethyluric acid is a purine alkaloid that is produced in some plants and occurs as a minor metabolite of caffeine in humans. As an antioxidant, it has shown an ability to scavenge hydroxyl radicals as well as protective potential against lipid peroxidation in erythrocyte membranes

Chemical Structure

1,3,7-Trimethyluric acid
CAS# 5415-44-1

Theoretical Analysis

MedKoo Cat#: 584120
Name: 1,3,7-Trimethyluric acid
CAS#: 5415-44-1
Chemical Formula: C8H10N4O3
Exact Mass: 210.08
Molecular Weight: 210.190
Elemental Analysis: C, 45.71; H, 4.80; N, 26.66; O, 22.83

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Synonym: 1,3,7-Trimethyluric acid; 1-3-7-Trimethyluric acid; 1 3 7 Trimethyluric acid; BA 2753; BA-2753; BA2753; NSC 11259; NSC-11259; NSC11259; NSC 95858; NSC-95858; NSC95858

IUPAC/Chemical Name: 7,9-Dihydro-1,3,7-trimethyl-1H-purine-2,6,8(3H)-trione


InChi Code: InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)

SMILES Code: O=C(N1C)N(C)C2=C(N(C)C(N2)=O)C1=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:
Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 210.190000000000000000000000000000 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Paloncýová M, Navrátilová V, Berka K, Laio A, Otyepka M. Role of Enzyme Flexibility in Ligand Access and Egress to Active Site: Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4. J Chem Theory Comput. 2016 Apr 12;12(4):2101-9. doi: 10.1021/acs.jctc.6b00075. Epub 2016 Mar 23. PubMed PMID: 26967371. 2: Bhat VB, Sridhar GR, Madyastha KM. Efficient scavenging of hydroxyl radicals and inhibition of lipid peroxidation by novel analogues of 1,3,7-trimethyluric acid. Life Sci. 2001 Dec 14;70(4):381-93. PubMed PMID: 11798008. 3: Morita K, Maeda Y, Masuda M, Kazusaka A, Imaoka S, Funae Y, Fujita S. Strain differences in CYP3A-mediated C-8 hydroxylation (1,3,7-trimethyluric acid formation) of caffeine in Wistar and Dark Agouti rats. Rapid metabolism of caffeine in debrisoquine poor metabolizer model rats. Biochem Pharmacol. 1998 May 1;55(9):1405-11. PubMed PMID: 10076532. 4: Benchekroun Y, Dautraix S, Désage M, Brazier JL. 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. PubMed PMID: 9061462.