Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E06BSG)
DIG Name
FD&C red no. 4
Synonyms    Click to Show/Hide the Synonyms of This DIG
Ponceau SX; 4548-53-2; C.I. Food Red 1; Food red 1; FD&C Red No. 4; FD & C Red no. 4; FD&C Red 4; UNII-X3W0AM1JLX; C.I. Food Red 1, disodium salt; FD and C Red No. 4; 1306 Red; X3W0AM1JLX; C.I. 14700; Ponceau SX Lake; 4R purple; Crimson 4R; Maple Ponceau SX; disodium;3-[(2,4-dimethyl-5-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonate; Purple 4R; Hexacol Ponceau SX; Red shade #24; Certicol Ponceau SXS; Usacert Red No. 4; Dye FD & C Red No. 4; Red No. 1; Red No. 4; Edicol Supra Ponceau SX; Red Lake 89865N; disodium 3-[(E)-(2,4-dimethyl-5-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonate; Dye FD and C Red No. 4; D&C RED NO. 4; Ext. D&C Red No. 24; PONCEAUSX; CCRIS 3188; 12101 Red; Cerven potravinarska 1 [Czech]; Usacert FD & C Red No. 4; Cerven potravinarska 1; EINECS 224-909-9; FD&C Red No. 4 - Aluminium Lake; CI 14700; 1-Naphthalenesulfonic acid, 3-(2-(2,4-dimethyl-5-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:2); 1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2); Disodium 2-(5-sulfo-2,4-xylylazo)-1-naphthol-4-sulfonate; Ponceau SX, AldrichCPR; 2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt; 2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt; DSSTox_CID_1234; 4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt; Disodium 3-((2,4-dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonate; 1-Naphthalenesulfonic acid, 3-((2,4-dimethyl-5-sulfophenyl)azo)-4-hydroxy-, disodium salt; 3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt; 3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt; 4-Hydroxy-3-((5-sulpho-2,4-xylyl)azo)-1-naphthalenesulphonic acid, disodium salt; DSSTox_RID_76026; DSSTox_GSID_21234; SCHEMBL110710; SCHEMBL110711; SCHEMBL341298; Ponceau SX, analytical standard; CHEMBL3185981; DTXSID2021234; Tox21_302855; 6431AF; MFCD00046402; 1-Naphthalenesulfonic acid, 4-hydroxy-3-((6-sulfo-2,4-xylyl)azo)-, disodium salt; 3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfon- ic acid, disodium salt; Disodium 3-((2,4-dimethyl-5-sulphonatophenyl)azo)-4-hydroxynaphthalene-1-sulphonate; NCGC00256380-01; CAS-4548-53-2; DB-051307; FT-0635358; P0588; Q27293524; 3-(2,4-Dimethyl-5-sulfophenylazo)-4-hydroxynaphthalene-1-sulfonic acid disodium salt; disodium;3-[(E)-(2,4-dimethyl-5-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonate; sodium (E)-3-((2,4-dimethyl-5-sulfonatophenyl)diazenyl)-4-hydroxynaphthalene-1-sulfonate
DIG Function
Colorant
PubChem CID
62542
Formula
C18H14N2Na2O7S2
Canonical SMILES
CC1=CC(=C(C=C1N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])O)S(=O)(=O)[O-])C.[Na+].[Na+]
InChI
1S/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey
ONTQJDKFANPPKK-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=62542"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 480.4 Topological Polar Surface Area 176
XlogP N.A. Complexity 792
Heavy Atom Count 31 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Zonisamide
 API Info
Epilepsy [ICD-11: 8A60]
 [1]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Warfarin
 API Info
Atrial fibrillation [ICD-11: BC81]
 [2]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Dicyclomine
 API Info
Irritable bowel syndrome [ICD-11: DD91]
 [3]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transferase (TFase)
            DBT Name: Thiosulfate sulfurtransferase (TST) 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 = 8700 nM (estimated based on the structural similarity with CHEMBL1200712 ) [4]
                    Structural Similarity Tanimoto coefficient = 0.863387978
                    Tested Species Homo sapiens (Human)
                    UniProt ID THTR_HUMAN
      Hydrolase (HDase)
            DBT Name: Protein-tyrosine phosphatase 1B (PTPN1) 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 = 1200 nM (estimated based on the structural similarity with CHEMBL1200712 ) [5]
                    Structural Similarity Tanimoto coefficient = 0.863387978
                    Tested Species Saccharomyces cerevisiae (Yeast)
                    UniProt ID PTP1_YEAST
      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 = 91.26 % (tested by experiment) [6]
                    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 = 8.1 uM (tested by experiment) [6]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
References
1 FDA label for approved zonisamide from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved warfarin from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved dicyclomine from the official website of the U.S. Food and Drug Administration.
4 HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules. Bioorg Med Chem Lett. 2019 May 1; 29(9):1106-1112.
5 Evans Blue and other dyes as protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett. 2004 Apr 19; 14(8):1923-6.
6 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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