PF 6274484 - ≥98% (HPLC) , CAS No.1035638-91-5

CAS: 1035638-91-5 Cat. No.: P288199 Formula: C₁₈H₁₄ClFN₄O₂ Peso molecolare: 372.78 PubChem CID: 74766099

GRADE & PURITY ≥98%(HPLC)

Synonyms

PF-6274484 | N-4-(3-cloro-4-fluorofenil)amino-7-metossi-6-quinazolinil-2-propenamide | N-[4-[(3-cloro-4-fluorofenil)amino]-7-metossi-6-quinazolinil]-2-propenamide

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

PF 6274484 è un inibitore covalente irreversibile ad alta affinità della chinasi di EGFR con un Ki di 0,14 nM. PF 6274484 inibisce l'autofosforilazione dell'EGFR wild-type nelle cellule A549 e dell'EGFRL858R/T790M nelle cellule H1975 con IC50 rispettivamente di 5,8 nM e 6,6 nM.

Specifications

Sinonimi

PF-6274484 | N-4-(3-cloro-4-fluorofenil)amino-7-metossi-6-quinazolinil-2-propenamide | N-[4-[(3-cloro-4-fluorofenil)amino]-7-metossi-6-quinazolinil]-2-propenamide

Specifiche e purezza

≥98% (HPLC)

Meccanismi biochimici e fisiologici

Inibitore covalente della chinasi dell'EGFR ad alta affinità e potenza (Ki= 0,14 nM). Inibisce l'autofosforilazione di EGFR WT e mutante nelle cellule tumorali (i valori IC50 sono rispettivamente 5,8 e 6,6 nM).

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

INHIBITOR

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 528766586
• Sorrisi canonici: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=C
• IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]prop-2-enamide
• InChIKey: TUYDDIWQXWTNSW-UHFFFAOYSA-N
• INCHI: 1S/C18H14ClFN4O2/c1-3-17(25)24-15-7-11-14(8-16(15)26-2)21-9-22-18(11)23-10-4-5-13(20)12(19)6-10/h3-9H,1H2,2H3,(H,24,25)(H,21,22,23)
• Isomeri SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=C
• PubChem CID: 74766099
• Peso molecolare: 372.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Methoxyanilines Anisoles N-arylamides Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Imidolactams Heteroaromatic compounds Acrylic acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Amines Carbonyl compounds Organofluorides Organochlorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Methoxyaniline - Anisole - Phenol ether - Aniline or substituted anilines - N-arylamide - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Chlorobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Benzenoid - Imidolactam - Pyrimidine - Aryl chloride - Aryl fluoride - Acrylic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

ERBB3 Tclin Receptor tyrosine-protein kinase erbB-3 (1 Activities)

Discover Target: ERBB3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor (4 Activities)

Discover Target: EGFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERBB3 Tclin Receptor tyrosine-protein kinase erbB-3 (297 Activities)

Discover Target: ERBB3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 37.28, Max Conc. mM: 100
• Peso molecolare: 372.800 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 372.079 Da
• Monoisotopic Mass: 372.079 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 512.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1