Quinazoline - ≥98% , CAS No.253-82-7

CAS: 253-82-7 Cat. No.: Q107983 Formule: C₈H₆N₂ Poids moléculaire: 130.15 Beilstein Registry Number: 109370 Numéro CE: 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

A conserver entre 2 et 8°C

Shipped In

Glace humide

Vue d’ensemble

Les quinazolines ont des applications en chimie médicinale en raison de leurs activités antibactériennes, antifongiques, anticonvulsivantes, anti-inflammatoires et antitumorales. Il s'agit de l'unité structurelle de base des produits pharmaceutiques et elle joue un rôle important dans la synthèse moderne des médicaments antitumoraux.
Généralement utilisée pour étudier le comportement électrochimique de la quinazoline à l'aide de méthodes polarographiques et voltampérométriques modernes.

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

La génotoxicité de la quinazoline a été établie par le SOS Chromotest bactérien (Escherichia Coli).

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504751797

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751797

Sourires canoniques

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

Isomères SMILES

C1=CC=C2C(=C1)C=NC=N2

WGK Allemagne

3

PubChem CID

9210

Poids moléculaire

130.15

Beilstein

109370

Reaxy-Rn

109370

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water.
• Sensibilité: light sensitive ；Moisture sensitive
• Point d'éclair (°F): 222.8 °F
• Point d'éclair (°C): 106 °C
• Point d'ébullition (°C): 243°C
• Point de fusion (°C): 48°C
• Poids moléculaire: 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