ZD4190 HCl , Vascular endothelial growth factor receptor 2 inhibitor, CAS No.257938-36-6, Vascular endothelial growth factor receptor 2 inhibitor

CAS: 257938-36-6 Cat. No.: Z671028 Molecular Weight: 495.7 PubChem CID: 6918394

Synonyms

ZD4190 HCl | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazolin-4-amine;hydrochloride | N-(4-Bromo-2-fluorophenyl)-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]-6-methoxyquinazoline-4-amine hydrochloride | AKOS040749836 | CHEMBL3544937

Storage

Room temperature

Specifications

Synonyms

ZD4190 HCl | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazolin-4-amine;hydrochloride | N-(4-Bromo-2-fluorophenyl)-7-[2-(1H-1, 2, 3-triazol-1-yl)ethoxy]-6-methoxyquinazoline-4-amine hydrochloride | AKOS040749836 | CHEMBL3544937

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Vascular endothelial growth factor receptor 2 inhibitor

Names and Identifiers

• Canonical Smiles: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCCN4C=CN=N4.Cl
• IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazolin-4-amine;hydrochloride
• InChIKey: IOFHDGSCWJNVRZ-UHFFFAOYSA-N
• INCHI: 1S/C19H16BrFN6O2.ClH/c1-28-17-9-13-16(10-18(17)29-7-6-27-5-4-24-26-27)22-11-23-19(13)25-15-3-2-12(20)8-14(15)21;/h2-5,8-11H,6-7H2,1H3,(H,22,23,25);1H
• Isomeric SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCCN4C=CN=N4.Cl
• PubChem CID: 6918394
• Molecular Weight: 495.7

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Aniline and substituted anilines Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives Bromobenzenes Fluorobenzenes Aryl fluorides Aryl bromides Imidolactams Heteroaromatic compounds Triazoles Azacyclic compounds Amines Organofluorides Hydrocarbon derivatives Hydrochlorides Organobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Azole - 1,2,3-triazole - Ether - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organobromide - 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