Quinazoline - ≥98% , CAS No.253-82-7

CAS: 253-82-7 Cat. No.: Q107983 Molecular Weight: 130.15 Beilstein Registry Number: 109370 EC Number: 205-965-3 PubChem CID: 9210

GRADE & PURITY ≥98%

Synonyms

FT-0631892 | QUZ | InChI=1/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6 | MFCD00006712 | J-524172 | Benzo(a)pyrimidine | 1,3-Diazanaphthalene | NCIOpen2_000549 | 1,3-Benzodiazine | Quinazolines | UNII-UB9QUR18NL | Z1251332997 | A817834 | NSC72372 | NSC-72372 | S

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Quinazolines has applications in medicinal chemistry due to their antibacterial, antifungal, anticonvulsant, anti-inflammatory and antitumor activities. It is the basic structural unit of pharmaceuticals and plays an important role in modern synthesis of antitumor drugs.
Usually used to study the electrochemical behaviour of quinazoline using modern polarographic and voltammetric methods.

Specifications

Synonyms

FT-0631892 | QUZ | InChI=1/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6 | MFCD00006712 | J-524172 | Benzo(a)pyrimidine | 1, 3-Diazanaphthalene | NCIOpen2_000549 | 1, 3-Benzodiazine | Quinazolines | UNII-UB9QUR18NL | Z1251332997 | A817834 | NSC72372 | NSC-72372 | S

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Genotoxicity of quinazoline was established by bacterial SOS Chromotest (Escherichia Coli).

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751797
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751797
• Canonical Smiles: C1=CC=C2C(=C1)C=NC=N2
• IUPAC Name: quinazoline
• InChIKey: JWVCLYRUEFBMGU-UHFFFAOYSA-N
• INCHI: 1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H
• Isomeric SMILES: C1=CC=C2C(=C1)C=NC=N2
• WGK Germany: 3
• PubChem CID: 9210
• Molecular Weight: 130.15
• Beilstein: 109370
• Reaxy-Rn: 109370

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• External Descriptors: mancude organic heterobicyclic parent - quinazolines - azaarene - ortho-fused heteroarene

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

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor (1 Activities)

Discover Target: EGFR

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

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: light sensitive ；Moisture sensitive
• Flash Point(°F): 222.8 °F
• Flash Point(°C): 106 °C
• Boil Point(°C): 243°C
• Melt Point(°C): 48°C
• Molecular Weight: 130.150 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 130.053 Da
• Monoisotopic Mass: 130.053 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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