AG-1557 - 10mM in DMSO , CAS No.189290-58-2

CAS: 189290-58-2 Cat. No.: A422322 Peso molecular: 407.21

GRADE & PURITY 10mM in DMSO

Synonyms

4-Quinazolinamine, N-(3-iodophenyl)-6,7-dimethoxy- | MFCD28902185 | N-(3-Iodophenyl)-6,7-dimethoxy-4-quinazolinamine | HY-12806 | AG 1557 | F11460 | DTXSID10877962 | BDBM3533 | MS-26985 | AC-35894 | S0151 | SCHEMBL7123822 | N-(3-IODOPHYENYL)-6,7-DIMETHOXY

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

AG-1557 is a specific and ATP competitive inhibitor ofepidermal growth factor receptor (EGFR)tyrosine kinase.

Targets

EGFR

Specifications

Sinónimos

4-Quinazolinamine, N-(3-iodophenyl)-6, 7-dimethoxy- | MFCD28902185 | N-(3-Iodophenyl)-6, 7-dimethoxy-4-quinazolinamine | HY-12806 | AG 1557 | F11460 | DTXSID10877962 | BDBM3533 | MS-26985 | AC-35894 | S0151 | SCHEMBL7123822 | N-(3-IODOPHYENYL)-6, 7-DIMETHOXY

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

AG-1557 is a specific and ATP competitive inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Propiedades del producto

• ALogP: 4.022
• hba_count: 4
• Recuento HBD: 1
• Enlace rotable: 4

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)I)OC
• IUPAC Name: N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine
• InChIKey: FGCLAQLIXMAIHT-UHFFFAOYSA-N
• INCHI: 1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
• Isómeros SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)I)OC
• Peso molecular: 407.21
• Reaxy-Rn: 7437035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7437035&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Anisoles Aniline and substituted anilines Iodobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Aryl iodides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Anisole - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Secondary amine - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

EGFR Tclin Epidermal growth factor receptor (2 Activities)

Discover Target: EGFR

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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 40
• DMSO (mM) Solubilidad máxima: 98.2294147982613
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 407.210 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 407.013 Da
• Monoisotopic Mass: 407.013 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 360.000
• 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