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Bis(6-hydroxy-2-naphthyl) Disulfide - >95.0%(HPLC), high purity , CAS No.6088-51-3
Negative control ofIPA 3(Cat. No. 3622)
Basic Description
Synonyms
2-Naphthol, 6,6'-dithiodi- | C16073 | CAS-6088-51-3 | DIHYDROXY-6,6'-DINAPHTHYLDISULFIDE, 2,2'- | DIHYDROXY-6,6'-DINAPHTHYLDISULPHIDE, 2,2'- | MFCD00004083 | NSC87629 | SCHEMBL146470 | DTXSID7025429 | A832938 | D0244 | 6,6'-Dihydroxy-2,2'-dinaphthyl disul
Specifications & Purity
≥95%(HPLC)
Biochemical and Physiological Mechanisms
Negative control ofIPA 3, a direct, non-competitive inhibitor of group I p21-activated kinase (Pak1).Active Analogalso available.
Shipped In
Normal
Taxonomic Classification
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 Organic disulfides Sulfenyl compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Organic disulfide - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homopolycyclic 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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
6-[(6-hydroxynaphthalen-2-yl)disulfanyl]naphthalen-2-ol
INCHI
InChI=1S/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H
InChIKey
AHXGXXJEEHFHDK-UHFFFAOYSA-N
Smiles
C1=CC2=C(C=CC(=C2)SSC3=CC4=C(C=C3)C=C(C=C4)O)C=C1O
Isomeric SMILES
C1=CC2=C(C=CC(=C2)SSC3=CC4=C(C=C3)C=C(C=C4)O)C=C1O
Molecular Weight
350.45
Beilstein
6(4)6567
Reaxy-Rn
3398968
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3398968&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 26.28, Max Conc. mM: 75; Solvent:ethanol, Max Conc. mg/mL: 3.5, Max Conc. mM: 10
Melt Point(°C)
226 °C
Molecular Weight
350.500 g/mol
XLogP3
5.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
350.044 Da
Monoisotopic Mass
350.044 Da
Topological Polar Surface Area
91.100 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
380.000
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
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