Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0X2JN)
DIG Name
Solvent orange 2
Synonyms    Click to Show/Hide the Synonyms of This DIG
Oil Orange ss; 2646-17-5; C.I. Solvent Orange 2; Orange OT; Solvent Orange 2; Oleal Orange SS; Lacquer Orange V; Orange SS; Fat Orange II; Fat Orange RR; Oil Orange TX; Oil Orange OPEL; Dolkwal Orange SS; Organol Orange 2R; Atul Oil Orange T; Oil Orange O'PEL; Hexacol Oil Orange SS; FD & C Orange 2; Toluene-2-azonaphthol-2; A.F. Orange No. 2; 1-o-Tolylazo-2-naphthol; Japan Orange 403; Aizen Food Orange No. 2; Oil Orange 204; D & C Orange No. 2; FD and C Orange No. 2; 1-(o-Tolylazo)-2-naphthol; Oranz ss; Orange 3R Soluble IN Grease; Ext D and C Orange No. 4; 1-(o-Tolueneazo)-2-naphthol; Extract D and C Orange No. 4; Oranz rozpoustedlova 2; 1-[(2-Methylphenyl)Azo]-2-Naphthol; 2-NAPHTHOL, 1-(O-TOLYLAZO)-; UNII-E939MCU4ID; C.I. 12100; NSC 58044; OILORANGESS; 1-((2-Methylphenyl)azo)-2-naphthalenol; 2-Naphthalenol, 1-[(methylphenyl)azo]-; Orange OT (C.I. 12100); 1-((2-Methylphenyl)azo)-2-naphthol; E939MCU4ID; (E)-1-(o-tolyldiazenyl)naphthalen-2-ol; o-Tolueno-azo-.beta.-naphthol; 2-Naphthalenol, 1-((2-methylphenyl)azo)-; 2-Naphthalenol, 1-[(2-methylphenyl)azo]-; CHEMBL1976978; CHEBI:82364; 1-(o-Tolylazo)-.beta.-naphthol; MFCD00059523; Oil Orange OT; 2-Naphthalenol, 1-(2-(2-methylphenyl)diazenyl)-; Oranz SS [Czech]; AF Orange No. 2; CI Solvent Orange 2; D&C Orange No. 2; o-Tolueno-azo-beta-naphthol; 1-(o-Tolylazo)-B-naphthol; 1-[(2-Methylphenyl)azo]-2-naphthalenol; 1-(o-Tolylazo)-beta-naphthol; CCRIS 6083; 2-Naphthol, 1-(o-tolyazo)-; Oranz rozpoustedlova 2 [Czech]; HSDB 2949; 2-Naphthalenol, 1-[2-(2-methylphenyl)diazenyl]-; EINECS 220-162-8; BRN 0959684; CI 12100; AI3-30761; Orange OT*; 1-[(2-methylphenyl)diazenyl]naphthalen-2-ol; NCIOpen2_002258; SCHEMBL52228; 4-16-00-00232 (Beilstein Handbook Reference); SCHEMBL2389884; DTXSID6025808; Ext. D And C Orange No. 4; Orange OT, Dye content 75 %; (1E)-1-[(2-methylphenyl)hydrazinylidene]naphthalen-2-one; (1Z)-1-[(2-methylphenyl)hydrazinylidene]naphthalen-2-one; DTXSID30873446; C.I. Solvent Orange 2 (8CI); Oil Orange SS, analytical standard; BCP30002; NSC58044; WLN: L66J BNUNR B1& CQ; ANW-41962; NSC-58044; ZINC17315617; AKOS025310817; AKOS028109373; ZINC100028391; ZINC242425601; 2-Naphthol, 1-((2-methylphenyl)azo)-; NCI60_004414; T775; C I 12100; 1-[(2-Methylphenyl)diazenyl]-2-naphthol #; FT-0689118; C19287; 1-[(E)-(2-Methylphenyl)diazenyl]naphthalen-2-ol; J-016437; Q27155902; 93449-46-8
DIG Function
Colorant
PubChem CID
17550
Formula
C17H14N2O
Canonical SMILES
CC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O
InChI
1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3
InChIKey
BQFCCCIRTOLPEF-UHFFFAOYSA-N
   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=17550"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 262.3 Topological Polar Surface Area 45
XlogP 5 Complexity 344
Heavy Atom Count 20 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Umbilical vein endothelial cells (HUVEC) 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 = 2830 nM (estimated based on the structural similarity with CHEMBL594474 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.855172414
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_2959
            DBT Name: Melanoma MDA-MB-435 cells (MDA-MB-435) 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 = 7120 nM (estimated based on the structural similarity with CHEMBL594474 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.855172414
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0417
References
1 Synthesis of 2- and 17-substituted estrone analogs and their antiproliferative structure-activity relationships compared to 2-methoxyestradiol. Bioorg Med Chem. 2009 Oct 15; 17(20):7344-52.

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