65973-73-1

Basic information

• Product Name: NSC4912
• Synonyms: NSC4912;1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• CAS NO: 65973-73-1
• Molecular Formula: C₁₁H₈N₆O₂
• Molecular Weight: 256.224
• Mol File: 65973-73-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: >250°
• Boiling Point: 448.3°C at 760 mmHg
• Flash Point: 224.9°C
• Appearance: /
• Density: 1.69g/cm³
• Vapor Pressure: 3.14E-08mmHg at 25°C
• Refractive Index: 1.827
• CAS DataBase Reference: NSC4912(CAS DataBase Reference)
• NIST Chemistry Reference: NSC4912(65973-73-1)
• EPA Substance Registry System: NSC4912(65973-73-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 65973-73-1(Hazardous Substances Data)

Usage

General Description

NSC4912, also known as 2-Ethyl-1,3-propanediol, is a chemical compound that is commonly used as a solvent in various industrial applications. It is a clear, colorless liquid with a high boiling point and low volatility, making it suitable for use in formulations where high stability and low evaporation are desired. It has a mild, pleasant odor and is compatible with a wide range of other chemicals, making it a versatile component in many formulations. NSC4912 is often used as a solvent in coatings, adhesives, and printing inks, as well as in personal care products and pharmaceuticals. It is generally considered to have low toxicity and is not known to be harmful to the environment. Overall, NSC4912 is valued for its solvent properties and compatibility, making it a useful ingredient in a variety of industrial and commercial applications.

InChI:InChI=1/C11H8N6O2/c12-10-9-5-15-16(11(9)14-6-13-10)7-1-3-8(4-2-7)17(18)19/h1-6H,(H2,12,13,14)

Upstream product

• 5394-41-2 5-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile 
• 77287-34-4 formamide 
• 122-51-0 orthoformic acid triethyl ester 

Relevant articles and documents

Synthesis of N-aryl-5-amino-4-cyanopyrazole derivatives as potent xanthine oxidase inhibitors

Some pyrazolo[3,4-d]pyrimidines, structurally related with allopurinol, a well known xanthine oxidase inhibitor, clinically used in the therapy of gout, have also been reported as potent inhibitors of xanthine oxidase and the growth of several human tumour cell lines. Considering the potential interest of this family of compounds, the aim of the present study was to synthesise and provide a full chemical characterization of new N-aryl-5-amino-4-cyanopyrazole derivatives and their corresponding pyrazolo[3,4-d]pyrimidines. Their biological activity pertaining to the xanthine oxidase inhibition and effect on the growth of three tumour cell lines (MCF-7, NCI-H460, and SF-268) are also provided. With only one exception, the synthesised compounds showed no effect on the growth of the three tumour cell lines. However, a strong xanthine oxidase inhibitory activity was observed for almost all pyrazolo[3,4-d]pyrimidines tested, revealing some of them IC50 values below 1 μM. The results of the molecular docking studies of these compounds, against xanthine oxidoreductase are also described, providing an atomistic explanation of the differences in the inhibitory efficiency. MEP calculations were used to explain different inhibitory efficiency of similar inhibitors.