98550-19-7

Basic information

• Product Name: 6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(1H)-ONE
• Synonyms: 6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(1H)-ONE;6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4-OL;6-(Methylsulfanyl)-1H,4H-pyriMido[5,4-d][1,3]diazin-4-one;6-(Methylthio)pyriMido[5,4-d]pyriMidin-4(3H)-one;4-hydroxy-6-Methylthio-pyriMido[5,4-d]pyriMidine;pyrimido[5,4-d]pyrimidin-4(1H)
• CAS NO: 98550-19-7
• Molecular Formula: C₇H₆N₄OS
• Molecular Weight: 194.22
• Mol File: 98550-19-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 425.4 °C at 760 mmHg
• Flash Point: 211.1 °C
• Appearance: /
• Density: 1.64 g/cm³
• Vapor Pressure: 1.91E-07mmHg at 25°C
• Refractive Index: 1.799
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -1.25±0.20(Predicted)
• CAS DataBase Reference: 6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(1H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(1H)-ONE(98550-19-7)
• EPA Substance Registry System: 6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(1H)-ONE(98550-19-7)

Safety Data

• Hazardous Substances Data: 98550-19-7(Hazardous Substances Data)

Usage

General Description

6-(Methylthio)pyrimido[5,4-d]pyrimidin-4(1H)-one, also known as TMI-1, is a heterocyclic compound with a bicyclic ring structure. It is a thioether derivative of the pyrimidine and has been studied for its potential pharmacological activities. TMI-1 has been found to inhibit the growth of cancer cells by targeting the CDC25 phosphatase family. It has also been investigated for its potential as an anti-tumor and anti-inflammatory agent. TMI-1's unique chemical structure and potential pharmacological activities make it an important compound for further research and development in the fields of medicinal chemistry and drug discovery.

InChI:InChI=1/C7H6N4OS/c1-13-7-8-2-4-5(11-7)6(12)10-3-9-4/h2-3H,1H3,(H,9,10,12)

Upstream product

• 64-18-6 formic acid 
• 100130-05-0 5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid 
• 77287-34-4 formamide 
• 50593-92-5 5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid 
• 110-80-5 2-ethoxy-ethanol 
• 3473-63-0 formamidine acetic acid 
• 7518-70-9 1-ethoxyethanol 

Downstream Products

• 1213249-88-7 C₁₅H₁₃N₅O₂S 
• 1213249-80-9 C₁₆H₁₅N₅O₂S 
• 1213250-28-2 C₂₇H₃₁N₇O₄S₂ 
• 1213249-79-6 C₂₃H₁₉F₃N₆O₂S 
• 176637-10-8 4-chloro-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

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.