6-Bromo-4-hydroxyquinazoline - ≥98% , CAS No.32084-59-6

CAS: 32084-59-6 Cat. No.: B152546 Fórmula: C₈H₅BrN₂O Peso molecular: 225.05 Número EC: 696-207-4

CALIDAD & PUREZA ≥98%

Synonyms

6-bromoquinazolin-4(3H)-one|6-bromo-4-quinazolinol|6-bromo-1H-quinazolin-4-one|6-Bromo-4(3H)-quinazolinone|6-bromoquinazolin-4-one|4(1H)-Quinazolinone, 6-bromo-|Kinome_3257|6-bromo-3,4-dihydroquinazolin-4-one|LANORINAL COMPONENT CAFFEINE|6-bromoquinazolin-4-ol|Cacodylic acid [UN1572] [Poison]|Cambridge id 5585489|6-Bromo-3,4-dihydro-4-oxoquinazoline|6-Bromo-3H-quinazolin-4-one|5-(2-methylpropyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione|6-Bromo-4-hydroxyquinazoline|6-bromo-4-hydroxy-quinazoline|2-Ethoxy-1-[[2'-(1 H-tetrazol-5-yl)biphenyl-4-yl]methyl]-benzimidazole-7-carboxylic acid|6-bromo-1,4-dihydroquinazolin-4-one|6-Bromo-4-quinazolone|6-BROMOQUINAZOLIN-4(1H)-ONE|6-Bromo-4-quinazolinone

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

6-bromoquinazolin-4(3H)-one | 6-bromo-4-quinazolinol | 6-bromo-1H-quinazolin-4-one | 6-Bromo-4(3H)-quinazolinone | 6-bromoquinazolin-4-one | 4(1H)-Quinazolinone, 6-bromo- | Kinome_3257 | 6-bromo-3,4-dihydroquinazolin-4-one | LANORINAL COMPONENT CAFFEINE | 6-bromoquinazolin-4-ol | Cacodylic acid [UN1572] [Poison] | Cambridge id 5585489 | Show more

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488202910

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202910

Sonrisas canónicas

C1=CC2=C(C=C1Br)C(=O)NC=N2

IUPAC Name

6-bromo-3H-quinazolin-4-one

InChIKey

OVEISJPVPHWEHR-UHFFFAOYSA-N

INCHI

1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)

Isómeros SMILES

C1=CC2=C(C=C1Br)C(=O)NC=N2

Peso molecular

225.05

Reaxy-Rn

132410

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132410&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidones Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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: 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

Objetivos asociados (humanos)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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INSR Tclin Insulin receptor (5558 Activities)

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IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

Discover Target: IGF1R

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FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

Discover Target: FGFR1

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AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

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AKT3 Tchem Serine/threonine-protein kinase AKT3 (3157 Activities)

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PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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MET Tclin Hepatocyte growth factor receptor (10718 Activities)

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AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

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FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

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TYK2 Tclin Tyrosine-protein kinase TYK2 (5029 Activities)

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CSF1R Tclin Macrophage colony stimulating factor receptor (5179 Activities)

Discover Target: CSF1R

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CHEK1 Tchem Serine/threonine-protein kinase Chk1 (6846 Activities)

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PLK4 Tchem Serine/threonine-protein kinase PLK4 (1882 Activities)

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PTK6 Tchem Tyrosine-protein kinase BRK (2605 Activities)

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PLK3 Tchem Serine/threonine-protein kinase PLK3 (1916 Activities)

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Objetivos asociados (no humanos)

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 225.040 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 223.959 Da
• Monoisotopic Mass: 223.959 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 229.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 32084-59-6, the molecular formula is C8H5BrN2O, and the molecular weight is 225.05 g/mol. InChIKey OVEISJPVPHWEHR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.