123685-36-9

Basic information

• Product Name: 2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4(1H)-one
• Synonyms: 2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4-ol; 4-quinazolinol, 2-amino-6-[[(4-nitrophenyl)-2-propyn-1-ylamino]methyl]-
• CAS NO: 123685-36-9
• Molecular Formula: C₁₈H₁₅N₅O₃
• Molecular Weight: 349.3434
• Mol File: 123685-36-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 616.5°C at 760 mmHg
• Flash Point: 326.6°C
• Density: 1.36g/cm³
• Vapor Pressure: 3.96E-15mmHg at 25°C
• Refractive Index: 1.676
• CAS DataBase Reference: 2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4(1H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4(1H)-one(123685-36-9)
• EPA Substance Registry System: 2-amino-6-{[(4-nitrophenyl)(prop-2-yn-1-yl)amino]methyl}quinazolin-4(1H)-one(123685-36-9)

Safety Data

• Hazardous Substances Data: 123685-36-9(Hazardous Substances Data)

Usage

Core structure

quinazolin-4(1H)-one

Substituents

Amino group
Nitrophenyl group
Prop-2-yn-1-yl group
Potential biological activity
Pharmaceutical applications
Suitable for interactions with biological targets
Further studies and evaluations needed

Upstream product

• 350-46-9 4-Fluoronitrobenzene 
• 58677-07-9 N-[6-(bromomethyl)-3,4-dihydro-4-oxo-2-quinazolinyl]-2,2-dimethylpropanamide 
• 75077-46-2 4-nitro-N-2-propynylbenzenamine 
• 123685-48-3 N-[3,4-Dihydro-6-[[(4-nitrophenyl)-2-propynylamino]methyl]4-oxo-2-quinazolinyl]-2,2-dimethylpropanamide 

Relevant articles and documents

Potent inhibition of thymidylate synthase by two series of nonclassical quinazolines

The synthesis and biological activity of two series of nonclassical thymidylate synthase (TS) inhibitors are described. The first is a series of 10-propargyl-5.8-dideazafolic acid derivatives (10a-j) and the second is a series of the analogous 2-desamino