100130-05-0

Basic information

• Product Name: 5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID
• Synonyms: 5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID;5-aMino-2-(Methylthio)pyriMidine-4-carboxylic;5-aMino-2-(Methylsulfanyl)pyriMidine-4-carboxylic acid;5-Amino-2-(methylthio)-4-pyrimidinecarboxylic acid;5-Amino-2-(methylthio);4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-
• CAS NO: 100130-05-0
• Molecular Formula: C6H7N3O2S
• Molecular Weight: 185.206
• Product Categories: Heterocycle-Pyrimidine series
• Mol File: 100130-05-0.mol

Chemical Properties

• Melting Point: 190-191.5℃ (decomposition)
• Boiling Point: 434.973 °C at 760 mmHg
• Flash Point: 216.864 °C
• Appearance: /
• Density: 1.538 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.668
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 3.40±0.10(Predicted)
• CAS DataBase Reference: 5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID(100130-05-0)
• EPA Substance Registry System: 5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID(100130-05-0)

Safety Data

• Hazardous Substances Data: 100130-05-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID is used as a versatile reactant for the synthesis of helicene analogs. Helicene analogs are important in the development of new pharmaceutical compounds due to their unique structural properties and potential applications in various therapeutic areas, such as cancer treatment and anti-inflammatory drugs.
Used in Chemical Research:
In the field of chemical research, 5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID serves as a valuable building block for the creation of novel organic molecules. Its reactivity and structural features make it a useful starting material for the synthesis of various complex organic compounds, which can be further explored for their potential applications in different industries, including pharmaceuticals, materials science, and agrochemicals.
Used in Material Science:
5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID can be utilized in the development of new materials with specific properties, such as optical, electronic, or magnetic characteristics. By incorporating this compound into the molecular structure of various materials, researchers can potentially create new materials with enhanced performance in areas like sensors, displays, and energy storage devices.

InChI:InChI=1/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)

Upstream product

• 50593-92-5 5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid 
• 7758-99-8 copper(II) sulfate 

Downstream Products

• 98550-19-7 6-methylsulfanyl-3H-pyrimido[5,4-d]pyrimidin-4-one 
• 98550-19-7 4-hydroxy-6-methylthio-pyrimido[5,4-d]pyrimidine 
• 177908-24-6 4-[(3-Chloro-4-fluoro-phenyl)amino]-6-methylthio-pyrimido[5,4-d]pyrimidine 

Relevant articles and documents

Synthesis and Functionalization of C6/C7 Substituted Pyrido[3,2-d]pyrimidines

An efficient synthesis of functionalized pyrido[3,2-d]pyrimidines is reported. Starting from 4-aminopyrimidine-3-carbaldehydes, a Horner-Wadsworth-Emmons olefination followed by a photoisomerization/cyclization installed the fused pyridine ring. Using substituted HWE-reagents various substituents could be introduced in the 7-position of the pyrido[3,2-d]pyrimidines. Functionalization of the pyridone substructure allowed late variation in the 6-position. In order to obtain amine-linked bis-pyridopyrimidines, 7-bromo-pyridopyrimidines were converted with their 7-amino-counterpart by Hartwig–Buchwald amination.

Pyrimido [5, 4-d] pyrimidines, pharmaceuticals containing these compounds, their use and processes for their preparation

Pyrimido[5,4-d]pyrimidines of the general formula [Figure] which have an inhibitory effect on signal transduction mediated by tyrosine kinases, their use for the treatment of oncoses, and their preparation. Exemplary compounds are: (a) 4-(5-indolylamino)-6-morpholinopyrimido[5,4-d]pyrimidine; (b) 4-(5-indolylamino)-6-[trans-(4-hydroxycyclohexyl)amino]pyrimido[5,4-d]pyrimidine; (c) 4-[(3-chloro-4-fluorophenyl)amino]-6-[4-(morpholinocarbonylmethyl)-1-piperazinyl]pyrimido[5,4-d]pyrimidine; (d) 4-[(3-chloro-4-fluorophenyl)amino]-6-[(4-morpholinyl)amino]pyrimido[5,4-d]pyrimidine; (e) 4-[(3-chloro-4-fluorophenyl)amino]-6-(4-picolylamino)pyrimido[5,4-d]pyrimidine; (f) 4-[(3-chloro-4-fluorophenyl)amino]-6-[1-trifluoroacetyl-4-piperidinylamino]pyrimido[5,4-d]pyrimidine; (g) 4-[(3-chloro-4-fluorophenyl)amino]-6-(endo-tropinylamino)pyrimido[5,4-d]pyrimidine; and, (h) 4-[(3-chloro-4-fluorophenyl)amino]-6-(exo-tropinylamino)pyrimido[5,4-d]pyrimidine.

Pyrimido?5,4-D!pyrimidines, medicaments comprising these compounds, their use and processes for their preparation

The present invention relates to pyrimido?5,4-d!pyrimidines of the general formula STR1 in which Ra to Rc are as defined herein, their tautomers, their stereoisomers and their salts, in particular their physiologically tolerated salts with inorganic or organic acids or bases which have valuable pharmacological properties, in particular an inhibiting action on signal transduction mediated by tyrosine kinases, their use for the treatment of diseases, in particular tumor diseases.

Pyrimido[5,4]-dipyrimidines, pharmaceuticals containing them, their use and processes for the preparation thereof

Pyrimido[5,4-d]pyrimidines of the general formula [Figure] which have an inhibitory effect on signal transduction mediated by tyrosine kinases, their use for the treatment of disorders, in particular of oncoses, and their preparation. Exemplary compounds are: 4-[(3-Chloro-4-fluorophenyl)amino]-6-[1-methyl-4-piperidinylamino]pyrimido[5,4-d]pyrimidine, and 4-[(3-Chloro-4-fluorophenyl)amino]-6-[trans-4-dimethyl-aminocycohexylamino]pyrimido[5,4-d]pyrimidine.