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

CAS: 1147-56-4 Cat. No.: T162491 Molecular Weight: 255.3 EC Number: 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

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=CS3)O
• PubChem CID: 93572
• Molecular Weight: 255.3
• Reaxy-Rn: 21172

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 25.53, Max Conc. mM: 100
• Melt Point(°C): 141 °C
• Molecular Weight: 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