AG-1557 - ≥98% , CAS No.189290-58-2

CAS: 189290-58-2 Cat. No.: A412206 Fórmula: C₁₆H₁₄IN₃O₂ Peso molecular: 407.21

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Visão geral

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

• ALogP: 4.022
• hba_count: 4
• Contagem HBD: 1
• Ligação rotativa: 4

Nomes e identificadores

• Pubchem Sid: 504763630
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763630
• Sorrisos canónicos: 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)
• SMILES isoméricas: 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
    • 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: 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
• Descrição: 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

Alvos associados (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 ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 40 mg/mL (98.22 mM); Ethanol: 3 mg/mL (7.36 mM); Water: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 40
• DMSO (mM) Solubilidade máxima: 98.2294147982613
• Água (mg/mL) Solubilidade 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