612-37-3 | 7-Methyl-1H-purine-2,6,8(3H,7H,9H)-trione

Packsize	Purity	Availability	Price	Discounted Price
1mg	≥98%	in stock	$78.00	$54.00
5mg	≥98%	in stock	$295.00	$207.00

Description

• Catalog Number: AB45473
• Chemical Name: 7-Methyl-1H-purine-2,6,8(3H,7H,9H)-trione
• CAS Number: 612-37-3
• Molecular Formula: C6H6N4O3
• Molecular Weight: 182.1368
• MDL Number: MFCD00042772
• SMILES: O=c1[nH]c2[nH]c(=O)n(c2c(=O)[nH]1)C

Computed Properties

• Complexity: 359
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 3
• XLogP3: -1.2

Literature

• Methylated purines in urinary stones.

  Clinical chemistry 20050801

• Uric acid may inhibit glucose-induced insulin secretion via binding to an essential arginine residue in rat pancreatic beta-cells.

  Bioorganic & medicinal chemistry letters 20050215

• Catabolism of caffeine in plants and microorganisms.

  Frontiers in bioscience : a journal and virtual library 20040501

• Structural basis for the binding affinity of xanthines with the DNA intercalator acridine orange.

  Journal of medicinal chemistry 20011220

• Use of novel solid-phase extraction sorbent materials for high-performance liquid chromatography quantitation of caffeine metabolism products methylxanthines and methyluric acids in samples of biological origin.

  Journal of chromatography. B, Biomedical sciences and applications 20010815