Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0B5CE)
DIG Name
Naphthol yellow S
Synonyms    Click to Show/Hide the Synonyms of This DIG
Naphthol Yellow S; 846-70-8; Acid yellow 1; Ext. D&C Yellow No. 7; C.I. Acid Yellow 1; Acid Yellow S; Naphthol Yellow; C.I. Food Yellow 1; C.I. 10316; Flavianic acid disodium salt; UNII-08F8S9O3I5; Ext. D & C yellow no. 7; Amacid Yellow S; Kiton Yellow S; Paper Yellow L; Solar Yellow NY; Naphtol Yellow S; Calcocid Yellow S; Naphthol Yellow L; Naphthol Yellow OS; Naphthol Yellow PL; Yellow Lake 71; MFCD00003958; Flavianic acid sodium salt; Naphtocard Yellow S; EXT D&C yellow no. 7; Hispacid Yellow NSF; Naphthol Yellow SFQ; Naphthol Yellow SNA; Naphthol Yellow SXX; Ext D&C Yellow 7; Naphthol Yellow S.FQ; Edicol Supra Yellow Y; Kca Naphthol Yellow S; Yellow No. 403; 1307 Yellow; 1422 Yellow; Java Naphthol Yellow S; Maple Naphthol Yellow S; Naphthol Lake Yellow FY; Acid Leather Yellow NYS; Nankai Naphthol Yellow S; Rakuto Naphthol Yellow S; Naphthol Yellow SEL 12; Dolkwal Naphthol Yellow S; FD and C Yellow No. 1; 08F8S9O3I5; Naphthol yellow S sodium salt; Ext D and C Yellow No. 7; Solar Yellow NY, sodium salt; Naphthol Yellow S disodium salt; Sulfur Yellow S; Transparent Yellow Lake 16091; Sodium flavianate; sodium 5,7-dinitro-8-oxidonaphthalene-2-sulfonate; 2,4-Dinitro-1-naphthol-7-sulfonic acid, disodium salt; 2-Naphthalenesulfonic acid, 8-hydroxy-5,7-dinitro-, sodium salt (1:2); Zlut naftolova S; Zlut kysela 1; Solar Yellow NY Conc; Acid Yellow S (VAN); Japan Yellow 403-1; Zlut kysela 1 [Czech]; A.F. Yellow No. 1; Zlut naftolova S [Czech]; Japan Yellow No. 403-1; CCRIS 7072; Flavianic acid sodium salt (6CI); NSC 4150; EINECS 212-690-2; disodium 5,7-dinitro-8-oxidonaphthalene-2-sulfonate; Disodium 5,7-dinitro-8-oxidonaphthalene-2-sulphonate; CI 10316; SCHEMBL28479; disodium 2,4-dinitro-7-sulfonatonaphthalen-1-olate; C10H4N2O8S.2Na; 2,4-Dinitro-1-naphthol-7-sulfonic Acid Disodium Salt; DTXSID1041718; CHEBI:87219; 8-Hydroxy-5,7-dinitro-2-naphthalenesulfonic Acid Disodium Salt; 5792AF; ANW-41131; SBB057953; Sodium, ((2,4-dinitro-7-sulfo-1-naphthalenyl)oxy)-, sodium salt; AKOS024319598; AKOS025116965; Naphthol Yellow S, analytical standard; AS-56926; DB-056816; F0100; FT-0621859; ST50411625; Disodium 2,4-Dinitro-1-naphthol-7-sulfonate; 2,4-Dinitro-1-naphthol-7-sulfonic acid sodium salt; Q8214040; Disodium 8-Hydroxy-5,7-dinitro-2-naphthalenesulfonate; 5,7-Dinitro-8-hydroxy-2-naphthalenesulfonic acid sodium salt; 2-NAPHTHALENESULFONIC ACID, 5,7-DINITRO-8-HYDROXY-, DISODIUM SALT; 8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid, sodium salt, sodium salt; Naphthol Yellow S, for microscopy (Hist.), for the precipitation (of amino acids and peptides)
DIG Function
Colorant
PubChem CID
2724063
Formula
C10H4N2Na2O8S
Canonical SMILES
C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+]
InChI
1S/C10H6N2O8S.2Na/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;2*+1/p-2
InChIKey
CTIQLGJVGNGFEW-UHFFFAOYSA-L
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=2724063"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 358.19 Topological Polar Surface Area 180
XlogP N.A. Complexity 519
Heavy Atom Count 23 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transferase (TFase)
            DBT Name: Casein kinase II alpha (CSNK2A1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 400 nM (estimated based on the structural similarity with CHEMBL459510 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.788888889
                    Tested Species Homo sapiens (Human)
                    UniProt ID CSK21_HUMAN
      Potential-driven transporter (PDT)
            DBT Name: Solute carrier SLCO2B1 (OATPB) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Inhibition ratio = 72.5 % (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 24.5 uM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
References
1 Novel non-ATP competitive small molecules targeting the CK2 / interface. Bioorg Med Chem. 2018 Jul 15; 26(11):3016-3020.
2 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.

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