4-Hidroxiquinazolina - ≥98%(HPLC) , CAS No.491-36-1

CAS: 491-36-1 Cat. No.: H157172 Fórmula: C₈H₆N₂O Peso molecular: 146.15 Beilstein Registry Number: 24143 Número CE: 207-735-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

A7361 | 4-Oxoquinazoline | JPZ | 3-hydro-4-quinazolinone | CHEBI:91430 | HY-W018800 | BDBM27504 | DB12967 | HMS3413K17 | H0803 | InChI=1/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) | 4-(3h)-quinazolinone | 4(3H)-Quinazolinone | 3H-Quinazolin-4-

Storage

Room temperature

Shipped In

Normal

Visão geral

Aplicação do produto：

a 4-hidroxiquinazolina é usada para inibir a PARP (poli (ADP-ribose) sintetase), que catalisa a ligação covalente da porção ADP-ribose do NAD + a várias proteínas. Este composto inibe de forma específica e potente a PARP-1. o 4-HQN demonstra a capacidade de diminuir a ativação do fator de transcrição NFκB e AP-1 no choque induzido por lipopolissacarídeos. Estudos mecanicistas indicam que o 4-HQN ativa a via PI3-quinase/Akt no fígado, baço e pulmão e regula negativamente dois elementos do sistema MAP quinase. Além disso, observou-se que este agente diminui o aumento da oxidação das proteínas induzido pela isquemia-reperfusão, as quebras de ADN de cadeia simples, a peroxidação lipídica e a produção de espécies reactivas de oxigénio mitocondrial no período de reperfusão.

Specifications

Sinónimos

A7361 | 4-Oxoquinazoline | JPZ | 3-hydro-4-quinazolinone | CHEBI:91430 | HY-W018800 | BDBM27504 | DB12967 | HMS3413K17 | H0803 | InChI=1/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) | 4-(3h)-quinazolinone | 4(3H)-Quinazolinone | 3H-Quinazolin-4-

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

488202850

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202850

Sorrisos canónicos

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

IUPAC Name

3H-quinazolin-4-one

InChIKey

QMNUDYFKZYBWQX-UHFFFAOYSA-N

INCHI

1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)

SMILES isoméricas

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

WGK Alemanha

3

RTECS

VA2300000

Peso molecular

146.15

Beilstein

24143

Reaxy-Rn

118473

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118473&ln=

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: Hydroxypyrimidines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Hydroxypyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

Discover Target: PDPK1

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PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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HL-60 (67320 Activities)

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PC-3 (62116 Activities)

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SGC-7901 (2773 Activities)

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PDE10A Tclin Phosphodiesterase 10A (5542 Activities)

Discover Target: PDE10A

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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GMNN Tbio Geminin (128009 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Pnp Purine nucleoside phosphorylase (4 Activities)

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Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO (100 mM), ethanol, methanol, and water (10 mM).
• Sensibilidade: Hygroscopic
• Ponto de fusão (°C): 215.0 ~220.0 °C
• Peso molecular: 146.150 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.048 Da
• Monoisotopic Mass: 146.048 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 200.000
• 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