61772-85-8

Basic information

• Product Name: 2,6-bis(methylsulfanyl)pyrimidine-4,5-diamine
• CAS NO: 61772-85-8
• Molecular Formula: C₆H₁₀N₄S₂
• Molecular Weight: 202.3004
• Mol File: 61772-85-8.mol

Chemical Properties

• Boiling Point: 404.1°C at 760 mmHg
• Flash Point: 198.2°C
• Density: 1.41g/cm³
• Vapor Pressure: 9.67E-07mmHg at 25°C
• Refractive Index: 1.692
• CAS DataBase Reference: 2,6-bis(methylsulfanyl)pyrimidine-4,5-diamine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-bis(methylsulfanyl)pyrimidine-4,5-diamine(61772-85-8)
• EPA Substance Registry System: 2,6-bis(methylsulfanyl)pyrimidine-4,5-diamine(61772-85-8)

Safety Data

• Hazardous Substances Data: 61772-85-8(Hazardous Substances Data)

Usage

Pyrimidine derivative

A derivative of pyrimidine This compound is based on the pyrimidine structure, which is a heterocyclic aromatic organic compound consisting of a six-membered ring with four atoms being nitrogen.

Methylsulfanyl groups

Two methylsulfanyl groups attached to the 2 and 6 positions These groups consist of a methyl group (CH3) bonded to a sulfur atom, which are attached to the specified positions on the pyrimidine ring.

Amino groups

Amino groups at the 4 and 5 positions These are nitrogen atoms with two hydrogen atoms bonded to them, located at the 4 and 5 positions of the pyrimidine ring.

Intermediate in synthesis

Used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals This compound serves as a starting material or building block in the creation of other chemicals used in medicine and agriculture.

Potential applications

Antiviral and anticancer drugs, herbicides, and pesticides 2,6-bis(methylsulfanyl)pyrimidine-4,5-diamine has possible uses in the development of medications to combat viral infections and cancer, as well as chemicals to control weeds and pests.

Versatile chemical

Wide range of potential uses in pharmaceutical and agricultural industries This compound's unique structure and properties make it a valuable component in various applications, including drug development and crop protection.

Upstream product

• 856971-96-5 2,6-bis-methylsulfanyl-5-nitro-pyrimidin-4-ylamine 
• 31295-41-7 4,5-diamino-2,6-dimercaptopyrimidine 
• 77-78-1 dimethyl sulfate 
• 74-88-4 methyl iodide 

Downstream Products

• 1201-58-7 2,6-bis-methylsulfanyl-7⁽⁹⁾H-purine 

Relevant articles and documents

The discovery of purine-based agents targeting triple-negative breast cancer and the αB-crystallin/VEGF protein–protein interaction

Oestrogen receptor-negative breast cancer, particularly subtypes such as triple-negative breast cancer (TNBC, around 10–15% of cases), are characterised by poor long-term survival, poor response to therapy and early progression to metastasis. Purine-based compounds represent a privileged scaffold in anticancer drug design, with several clinically approved and experimental agents in clinical development comprising a purine core structure. In this study, a series of new purine-based compounds were synthesised; seven of the new analogues were found to significantly reduce the in vitro viability of TNBC cell lines (MDA-MB-231 and MDA-MB-436) with IC50 values of ≤50 μM. In previous work, we have proposed a new concept for targeting angiogenesis driving TNBC progression, by disrupting the protein–protein interaction between the molecular chaperone αB-crystallin (CRYAB) and VEGF. Since previous clinical studies applying anti-VEGF therapy to TNBC patients have met with limited success, we were interested to test our most promising purine analogues against CRYAB/VEGF, using a custom-designed cell-based CRYAB/VEGF165 interaction assay platform. Analogues 4e and 4f significantly reduced the interaction between CRYAB/VEGF165, and compound 4e (100 μM) was also found to decrease the levels of soluble VEGF expressed by MDA-MB-231 cells by 40%. In conclusion, these promising early activity profiles warrant further investigation to validate this concept.

REACTION OF AZINIUM CATIONS.5.* ADDITION OF WATER AND METHANOL TO 1,4-DIAZINIUM CATIONS IN THE PRESENCE OF BASES. EQUILIBRIUM CONSTANTS AND PMR SPECTRA OF THE MONO- AND DIADDUCTS

The PKR* values and equilibrium constants for the addition of hydroxide ions to 1,4-diazinium ions were determined by spectrophotometry.The ratios 1:1 and 1:2 of the methoxyl adducts of the 1,4-diazinium ions in the sodium methoxide-methanol-D4 system and the equilibrium constants for the transformations of the monoadducts into the diaddition products were determined by PMR spectroscopy.