16431-29-1

Basic information

• Product Name: (4-HYDROXY-QUINAZOLIN-2-YLSULFANYL)-ACETIC ACID
• Synonyms: (4-HYDROXY-QUINAZOLIN-2-YLSULFANYL)-ACETIC ACID;CHEMBRDG-BB 6611825;[(4-HYDROXYQUINAZOLIN-2-YL)THIO]ACETIC ACID;[(4-hydroxyquinazolin-2-yl)thio]acetic acid(SALTDATA: FREE)
• CAS NO: 16431-29-1
• Molecular Formula: C10H8N2O3S
• Molecular Weight: 236.25
• Mol File: 16431-29-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 477.2°C at 760 mmHg
• Flash Point: 242.4°C
• Appearance: /
• Density: 1.55g/cm³
• Vapor Pressure: 6.47E-10mmHg at 25°C
• Refractive Index: 1.717
• CAS DataBase Reference: (4-HYDROXY-QUINAZOLIN-2-YLSULFANYL)-ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (4-HYDROXY-QUINAZOLIN-2-YLSULFANYL)-ACETIC ACID(16431-29-1)
• EPA Substance Registry System: (4-HYDROXY-QUINAZOLIN-2-YLSULFANYL)-ACETIC ACID(16431-29-1)

Safety Data

• Hazardous Substances Data: 16431-29-1(Hazardous Substances Data)

Usage

Uses

(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid is used as a reactant in the development and preparation of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors

InChI:InChI=1/C10H8N2O3S/c13-8(14)5-16-10-11-7-4-2-1-3-6(7)9(15)12-10/h1-4H,5H2,(H,13,14)(H,11,12,15)

Upstream product

• 13906-09-7 2-mercapto-3H-quinazolin-4-one 
• 561024-76-8 tert-butyl 2-((4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate 
• 118-92-3 anthranilic acid 
• 13906-09-7 2-thioxo-2,3-dihydro-1H-quinazolin-4-one 
• 79-08-3 bromoacetic acid 
• 79-11-8 chloroacetic acid 
• 87-25-2 2-ethoxycarbonylaniline 
• 333-20-0 potassium thioacyanate 
• 6307-66-0 2-(Chloracetylamino)benzoesaeure-ethylester 

Relevant articles and documents

SYNTHESIS OF 2-ALKYLTHIOQUINAZOL-4-ONES

Alkylation of 2-thioxoquinazol-4-one by different alkylating agents was studied, and it was found that the reaction proceeds at the exocyclic sulfur atom with the formation of 2-alkylthioquinazol-4-ones.

QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF

Compounds of Formula I are useful inhibitors of tankyrase. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

Synthesis of novel 2-(4-oxo-3,4-dihydroquinazolin-2-ylsulfinylmethyl)-3H- quinazolin-4-one

Condensation of 2-mercapto-3H-quinazolin-4-one (1) with chloroacetic acid gave 4-oxo-3,4-dihydroquinazoline-2-yl-sulfanyl)-acetic acid (2) that with anthranilamide (3) gave 2-(4-oxo-3,4-dihydroquinazolin-2-ylsulfanylmethyl)-3H- quinazolin-4-one (4). Oxidation of 4 with sodium hypochlorite in alkaline medium gave the novel product, 2-(4-oxo-3,4-dihydroquinazolin-2-ylsulfinyl methyl)-3H-quinazolin-4-one) (5). The entire sequences of reactions in this work have been carried out using eco-friendly solvents and green conditions. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.