AG-1557 - ≥98% , CAS No.189290-58-2

CAS: 189290-58-2 Cat. No.: A412206 Formule: C₁₆H₁₄IN₃O₂ Poids moléculaire: 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

Vue d’ensemble

Information

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

Targets

EGFR

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

• ALogP: 4.022
• hba_count: 4
• Nombre de HBD: 1
• Liaison rotative: 4

Noms et identifiants

• Pubchem Sid: 504763630
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763630
• Sourires canoniques: 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)
• Isomères SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)I)OC
• Poids moléculaire: 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
• Description: 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

Cibles associées (humaines)

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)

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 40 mg/mL (98.22 mM); Ethanol: 3 mg/mL (7.36 mM); Water: Insoluble
• DMSO (mg/mL) Solubilité maximale: 40
• DMSO (mM) Solubilité maximale: 98.2294147982613
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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