Quinazoline - ≥98% , CAS No.253-82-7

CAS: 253-82-7 Cat. No.: Q107983 Summenformel: C₈H₆N₂ Molekulargewicht: 130.15 Beilstein Registry Number: 109370 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504751797

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

PubChem CID

9210

Molekulargewicht

130.15

Beilstein

109370

Reaxy-Rn

109370

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Empfindlichkeit: light sensitive ；Moisture sensitive
• Flammpunkt (°F): 222.8 °F
• Flammpunkt (°C): 106 °C
• Siedepunkt (°C): 243°C
• Schmelzpunkt (°C): 48°C
• Molekulargewicht: 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