1-(2-Thiazolylazo)-2-naphthol - ≥99% , CAS No.1147-56-4

CAS: 1147-56-4 Cat. No.: T162491 Peso molecular: 255.3 Número EC: 214-555-3 PubChem CID: 93572

GRADE & PURITY ≥99%

Synonyms

GCBAKGGJQPMJLL-NTCAYCPXSA- | 2-Naphthalenol,1-[2-(2-thiazolyl)diazenyl]- | Acide bromebrique | (1Z)-1-(2-thiazolylhydrazinylidene)-2-naphthalenone | 1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol | 1-(2-Thiazolylazo)-2-naphthol | AKOS015912775 | EINECS 214-5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

GCBAKGGJQPMJLL-NTCAYCPXSA- | 2-Naphthalenol, 1-[2-(2-thiazolyl)diazenyl]- | Acide bromebrique | (1Z)-1-(2-thiazolylhydrazinylidene)-2-naphthalenone | 1-(1, 3-thiazol-2-yldiazenyl)naphthalen-2-ol | 1-(2-Thiazolylazo)-2-naphthol | AKOS015912775 | EINECS 214-5

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

High affinity Rio Kinase 2 (RIOK2) inhibitor (Kd= 200 nM). Exhibits >6-fold selectivity for RIOK2 over a panel of 456 kinases. Inhibits ERG protein and potently inhibits growth of ERG-positive VCaP prostate cancer cellsin vitro(IC50= 169 nM) but not ERG-

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ACTIVATOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=CS3)O
• IUPAC Name: 1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol
• InChIKey: IOMXCGDXEUDZAK-UHFFFAOYSA-N
• INCHI: 1S/C13H9N3OS/c17-11-6-5-9-3-1-2-4-10(9)12(11)15-16-13-14-7-8-18-13/h1-8,17H
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=CS3)O
• PubChem CID: 93572
• Peso molecular: 255.3
• Reaxy-Rn: 21172

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Thiazoles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Heteroaromatic compound - Thiazole - Azo compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (1 Activities)

Discover Target: HSP90AA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 25.53, Max Conc. mM: 100
• Punto de fusión (°C): 141 °C
• Peso molecular: 255.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 255.047 Da
• Monoisotopic Mass: 255.047 Da
• Topological Polar Surface Area: 86.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 313.000
• 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