54030-56-7

Basic information

• Product Name: 6-Amino-2-methylthio-3-methyluracil
• Synonyms: 6-Amino-2-methylthio-3-methyluracil ,97%;6-Amino-3-methyl-2-methylsulfanyl-3H-pyrimidin-4-one;6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one;6-Amino-3-methyl-2-(methylthio);6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one;6-Amino-3-methyl-2-(methylthio)- 4(3H)-pyrimidinone;NSC 57899;6-amino-3-methyl-2-methylsulfanylpyrimidin-4-one
• CAS NO: 54030-56-7
• Molecular Formula: C₆H₉N₃OS
• Molecular Weight: 171.22
• Product Categories: Nucleotides;Sulfur & Selenium Compounds;Aromatics Compounds;Aromatics;Bases & Related Reagents;Heterocycles
• Mol File: 54030-56-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 255-258°C
• Boiling Point: 282.3 °C at 760 mmHg
• Flash Point: 124.5 °C
• Appearance: /
• Density: 1.39 g/cm³
• Vapor Pressure: 0.00339mmHg at 25°C
• Refractive Index: 1.65
• Storage Temp.: -20°C Freezer
• CAS DataBase Reference: 6-Amino-2-methylthio-3-methyluracil(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Amino-2-methylthio-3-methyluracil(54030-56-7)
• EPA Substance Registry System: 6-Amino-2-methylthio-3-methyluracil(54030-56-7)

Safety Data

• Statements: 20/21/22
• Safety Statements: 7/47-24/25-36/37
• Hazardous Substances Data: 54030-56-7(Hazardous Substances Data)

Usage

Chemical Properties

White Powder

InChI:InChI=1/C6H9N3OS/c1-9-5(10)3-4(7)8-6(9)11-2/h3H,7H2,1-2H3

Upstream product

• 1074-41-5 2-(Methylthio)-4-hydroxy-6-aminopyrimidine 
• 74-88-4 methyl iodide 
• 1074-41-5 6-amino-2-methylsulfanylpyrimidin-4(3H)-one 
• 77-78-1 dimethyl sulfate 
• 1004-40-6 6-Amino-2-thiouracil 

Downstream Products

• 709036-74-8 4-amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1H)-one 
• 1293997-51-9 (9E)-9-benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-3,5,6,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-4(3H)-one 
• 1253375-37-9 C₂₂H₂₂ClN₃O₃S 

Relevant articles and documents

Derivatives of 4-amino-6-hydroxy-2-mercaptopyrimidine as novel, potent, and selective A3 adenosine receptor antagonists

A number of derivatives of 4-amino-6-hydroxy-2-mercaptopyrimidine (5) were synthesized and biologically evaluated as A3 adenosine receptor (A3 AR) antagonists. The new compounds were designed as open chain analogues of a triazolopyrimidinone derivative displaying submicromolar affinity for the A3 AR, which had been previously identified using a 3D database search. Substituents R, R′, and R″ attached to the parent compound 5 were chosen according to factorial design and stepwise lead optimization approaches, taking into account the essentially hydrophobic nature of the A3 AR binding site. As a result, 5m (R = n-C3H 7, R′ = 4-ClC6H4CH2, R″ = CH3) was identified among the pyrimidine derivatives as the ligand featuring the best combination of potency and selectivity for the target receptor. This compound binds to the A3 AR with a Ki of 3.5 nM and is devoid of appreciable affinity for the A1, A 2A, and A2B ARs.