130017-55-9

Basic information

• Product Name: 6-amino-7-methoxyquinazolin-4(3H)-one
• Synonyms: 6-amino-7-methoxyquinazolin-4(3H)-one
• CAS NO: 130017-55-9
• Molecular Formula: C9H9N3O2
• Molecular Weight: 191.18666
• Mol File: 130017-55-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 289-291 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
• Boiling Point: 425.9±55.0 °C(Predicted)
• Appearance: /
• Density: 1.47±0.1 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 3.89±0.20(Predicted)
• CAS DataBase Reference: 6-amino-7-methoxyquinazolin-4(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-amino-7-methoxyquinazolin-4(3H)-one(130017-55-9)
• EPA Substance Registry System: 6-amino-7-methoxyquinazolin-4(3H)-one(130017-55-9)

Safety Data

• Hazardous Substances Data: 130017-55-9(Hazardous Substances Data)

Usage

General Description

6-amino-7-methoxyquinazolin-4(3H)-one is a chemical compound with the molecular formula C10H9N3O2. It is a heterocyclic organic compound that belongs to the quinazolinone family. 6-amino-7-methoxyquinazolin-4(3H)-one is characterized by a quinazolinone core structure with an amino group at the 6th position and a methoxy group at the 7th position. It has potential applications in the field of medicinal chemistry, particularly in the development of pharmaceuticals and agrochemicals. Its unique structure and properties make it a valuable building block for the synthesis of various biologically active compounds. Ongoing research is being conducted to explore its potential pharmacological and industrial uses.

Upstream product

• 130017-54-8 6-Acetamido-7-methoxy-4(3H)-quinazolinone 
• 1012057-47-4 7-methoxy-6-nitroquinazolin-4(3H)-one 
• 162012-69-3 7-fluoro-6-nitro-3H-quinazolin-4-one 
• 130017-53-7 5-Acetamido-4-methoxy-2-nitrobenzamide 
• 130017-52-6 5-acetylamino-4-methoxy-2-nitrobenzoic acid 
• 130017-51-5 3-acetamido-4-methoxybenzoic acid 

Relevant articles and documents

Tyrosine Kinase Inhibitors. 20. Optimization of Substituted Quinazoline and Pyrido[3,4-d]pyrimidine Derivatives as Orally Active, Irreversible Inhibitors of the Epidermal Growth Factor Receptor Family

Structure-activity relationships for inhibition of erbB1, erbB2, and erbB4 were determined for a series of quinazoline- and pyrido[3,4-d]pyrimidine-based analogues of the irreversible pan-erbB inhibitor, canertinib. Cyclic amine bearing crotonamides were determined to provide rapid inhibition of cellular erbB1 autophosphorylation and good metabolic stability in liver microsome and hepatocyte assays. The influence of 4-anilino substitution on pan-erbB inhibitory potency was investigated. Several anilines were identified as providing potent, reversible pan-erbB inhibition. Optimum 4- and 6-substituents with known 7-substituents provided preferred irreversible inhibitors for pharmacodynamic testing in vivo. Quinazoline 54 and pyrido[3,4-d]pyrimidine 71 were identified as clearly superior to canertinib. Both compounds possess a piperidinyl crotonamide Michael acceptor and a 3-chloro-4-fluoroaniline, indicating these as optimized 6- and 4-substituents, respectively. Pharmacokinetic comparison of compounds 54 and 71 across three species selected compound 54 as the preferred candidate. Compound 54 (PF-00299804) has been assigned the nomenclature of dacomitinib and is currently under clinical evaluation.