1637254-93-3

Basic information

• Product Name: Afatinib IMpurity I
• Synonyms: Afatinib IMpurity I
• CAS NO: 1637254-93-3
• Molecular Formula: C22H19BrClFN4O3
• Molecular Weight: 521.77
• Mol File: 1637254-93-3.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 697.7±55.0 °C(Predicted)
• Appearance: /
• Density: 1.605±0.06 g/cm3(Predicted)
• PKA: 11.15±0.43(Predicted)
• CAS DataBase Reference: Afatinib IMpurity I(CAS DataBase Reference)
• NIST Chemistry Reference: Afatinib IMpurity I(1637254-93-3)
• EPA Substance Registry System: Afatinib IMpurity I(1637254-93-3)

Safety Data

• Hazardous Substances Data: 1637254-93-3(Hazardous Substances Data)

Upstream product

• 314771-88-5 4-[(3-chloro-4-fluorophenyl)amino]-6-nitro-7-[(S)-(tetrahydrofuran-3-yl)oxy]quinazoline 
• 314771-76-1 6-Amino-4-[(3-chloro-4-fluorophenyl)amino]-7-[(S)-(tetrahydrofuran-3-yl)oxy]quinazoline 
• 99083-25-7 4-bromocrotonyl chloride 
• 162012-67-1 N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine 
• 162012-69-3 7-fluoro-6-nitro-3H-quinazolin-4-one 
• 162012-70-6 4-chloro-7-fluoro-6-nitroquinazoline 
• 51544-74-2 4-bromocrotonic acid chloride 
• 162012-69-3 7-fluoro-6-nitro-4-hydroxyquinazoline 

Downstream Products

• 1680184-59-1 4-[(3-chloro-4-fluorophenyl)amino]-6-{[4-(N,N-dimethylamino)-1-oxo-2-buten-1-yl]amino}-7-[(S)-(tetrahydrothran-3-yl)oxy]quinazoline 

Relevant articles and documents

Minimalist linkers suitable for irreversible inhibitors in simultaneous proteome profiling, live-cell imaging and drug screening

Activity-based protein profiling (ABPP) and bioimaging have been powerful approaches for in situ drug screening and target identification. However, these approaches are still hindered by the preparation of high-quality probes. To address this challenge, we developed a series of novel minimalist linkers for irreversible inhibitors by incorporation of various bioorthogonal handles into an α,β-unsaturated amide, a common moiety of many irreversible inhibitors. The linker-containing probes have been demonstrated to be suitable for simultaneous protein labelling, live cell imaging and drug screening.

4 - (Substituted phenylamino) aminoquin oxazolines, preparation method and application thereof

The invention specifically relates to novel 4-(substituted phenylamino)quinazoline compounds with antineoplastic activity and a preparation method thereof, belonging to the field of pharmaceutical chemical engineering. The 4-(substituted phenylamino)quinazoline compounds have an effective irreversible inhibiting effect on tyrosine kinase and/or good in-vivo pharmacokinetic behavior and are an effective tyrosine kinase irreversible inhibitor.

Structure-activity study of quinazoline derivatives leading to the discovery of potent EGFR-T790M inhibitors

We have developed a series of 6, 7-disubstituted-4-(arylamino) quinazoline derivatives that functioned as irreversible EGFR inhibitors, and these compounds exhibited excellent enzyme inhibition potency. As compared with afatinib, some of them showed significantly enhanced activities towards H1975 cells (EGFR-T790M). Furthermore, the optimized compounds 7q and 8f also demonstrated good pharmacokinetic profiles, oral bioavailability as well as excellent in vivo efficacy in H1975 and HCC827 xenografts at a non-toxic dose. Based on the improved safety and efficacy against EGFR-T790M resistance, 7q and 8f are promising candidates for further studies.