Gefitinib impurity 2 - ≥99% , CAS No.246512-44-7

CAS: 246512-44-7 Cat. No.: G651932 Peso molecular: 309.36 PubChem CID: 11638144

GRADE & PURITY ≥99%

Synonyms

Benzamide, 2-amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]- | Gefitinib impurity 2 | HY-100663 | I11734 | 2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzamide | HFUBNPPCNQAACT-UHFFFAOYSA-N | Gefitinib Impurity 18 | 2-amino-4-methoxy-5-(3-morpholinopropo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Gefitinib impurity 2 is the impurity of Gefitinib. Gefitinib (ZD1839; HY-50895) is a potent, selective and orally active EGFR tyrosine kinase inhibitor with an IC 50 of 33 nM. Gefitinib selectively inhibits EGF-stimulated tumor cell growth (IC 50 of 54 nM) and that blocks EGF-stimulated EGFR autophosphorylation in tumor cells. Gefitinib also induces autophagy. Gefitinib has antitumour activity.

Form:Solid

Specifications

Sinónimos

Benzamide, 2-amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]- | Gefitinib impurity 2 | HY-100663 | I11734 | 2-Amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]benzamide | HFUBNPPCNQAACT-UHFFFAOYSA-N | Gefitinib Impurity 18 | 2-amino-4-methoxy-5-(3-morpholinopropo

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Gefitinib impurity 2 is the impurity of Gefitinib. Gefitinib (ZD1839; HY-50895) is a potent, selective and orally active EGFR tyrosine kinase inhibitor with an IC 50 of 33 nM. Gefitinib selectively inhibits EGF-stimulated tumor cell growth (IC 50 of 54 nM

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C(=C1)N)C(=O)N)OCCCN2CCOCC2
• IUPAC Name: 2-amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzamide
• InChIKey: HFUBNPPCNQAACT-UHFFFAOYSA-N
• INCHI: 1S/C15H23N3O4/c1-20-13-10-12(16)11(15(17)19)9-14(13)22-6-2-3-18-4-7-21-8-5-18/h9-10H,2-8,16H2,1H3,(H2,17,19)
• Isómeros SMILES: COC1=C(C=C(C(=C1)N)C(=O)N)OCCCN2CCOCC2
• PubChem CID: 11638144
• Peso molecular: 309.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Anthranilamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Anthranilamides
• Alternative Parents: 2-aminobenzamides Aminophenyl ethers Methoxyanilines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Morpholines Vinylogous amides Amino acids and derivatives Primary carboxylic acid amides Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-aminobenzamide - Aminobenzoic acid or derivatives - Aminobenzamide - Anthranilamide - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Aniline or substituted anilines - Methoxybenzene - Benzoyl - Anisole - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - Vinylogous amide - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (323.25 mM; Need ultrasonic)
• Peso molecular: 309.360 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 309.169 Da
• Monoisotopic Mass: 309.169 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 350.000
• 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