HLM 006474 - 10mM in DMSO , CAS No.353519-63-8

CAS: 353519-63-8 Cat. No.: H423579 Fórmula: C₂₅H₂₅N₃O₂ Peso molecular: 399.48

GRADE & PURITY 10mM in DMSO

Synonyms

7-[(4-Ethoxy-3-methylphenyl)(2-pyridinylamino)methyl]-2-methyl-8-quinolinol

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

HLM 006474 acts as an E2F transcription factor inhibitor, preventing DNA binding activity. This results in the induction of apoptosis in breast cancer cells.

Specifications

Sinónimos

7-[(4-Ethoxy-3-methylphenyl)(2-pyridinylamino)methyl]-2-methyl-8-quinolinol

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

E2F transcription factor inhibitor; inhibits E2F DNA binding activity. Inhibits E2F4 DNA binding and reduces E2F4 protein levels in A375 melanoma cells. Induces apoptosis of A375 and MDA-MB-231 breast cancer cells. Inhibits A375 proliferation and invasion

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

Pubchem Sid

528764807

Sorrisos canónicos

CCOC1=C(C=C(C=C1)C(C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC=N4)C

IUPAC Name

7-[(4-ethoxy-3-methylphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol

InChIKey

CYNZBLNMIJNBSF-UHFFFAOYSA-N

INCHI

1S/C25H25N3O2/c1-4-30-21-13-11-19(15-16(21)2)23(28-22-7-5-6-14-26-22)20-12-10-18-9-8-17(3)27-24(18)25(20)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)

SMILES isoméricas

CCOC1=C(C=C(C=C1)C(C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC=N4)C

Peso molecular

399.48

Reaxy-Rn

19551673

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19551673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass 8-hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: 8-hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 8-hydroxyquinolines
• Alternative Parents: Phenoxy compounds Phenol ethers Toluenes Secondary alkylarylamines Methylpyridines Aminopyridines and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-hydroxyquinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Aminopyridine - Methylpyridine - Secondary aliphatic/aromatic amine - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Ether - Secondary amine - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 399.500 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 399.195 Da
• Monoisotopic Mass: 399.195 Da
• Topological Polar Surface Area: 67.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 533.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1