Sodium hydrogen 8-aminonaphthalene-1,6-disulphonate

Endpoint summary

Description of key information

The skin sensitization potential of Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor. Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was predicted to be non sensitizing to the skin of male and female Hartley guinea pigs.

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation: in vivo (non-LLNA)

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Justification for type of information:

data is from OECD QSAR toolbox v3.4 and the QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: Estimated data

Principles of method if other than guideline:

Prediction was done using OECD QSAR toolbox v3.4

GLP compliance:

not specified

Type of study:

Buehler test

Specific details on test material used for the study:

- Name of test material: sodium hydrogen 8-aminonaphthalene-1,6-disulfonate
- Molecular formula: C10H8NNaO6S2
- Molecular weight: 325.2962 g/mol
- Smiles notation: c1cc2cc(cc(c2c(c1)S(=O)(=O)O)N)S(=O)(=O)[O-].[Na+]
- InChl: 1S/C10H9NO6S2.Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid

Species:

guinea pig

Strain:

Hartley

Sex:

male/female

Details on test animals and environmental conditions:

no data available

Route:

epicutaneous, occlusive

Vehicle:

not specified

Adequacy of induction:

not specified

Route:

epicutaneous, occlusive

Vehicle:

not specified

Adequacy of challenge:

not specified

No. of animals per dose:

20 guinea pigs [10/sex]

Details on study design:

no data available

Challenge controls:

no data available

Positive control substance(s):

not specified

Positive control results:

no data available

Other effects / acceptance of results:

no data available

Reading:

1st reading

Group:

test chemical

Clinical observations:

no data available

Remarks on result:

no indication of skin sensitisation

Cellular proliferation data / Observations:

no data available

The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"
Estimation method: Takes mode value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

(((("a" or "b" or "c" or "d" or "e" or "f" )  and "g" )  and "h" )  and ("i" and "j" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Naphthalene sulfonic acids, condensates by OECD HPV Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Non-covalent interaction AND Non-covalent interaction >> DNA intercalation AND Non-covalent interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines AND Radical AND Radical >> Radical mechanism via ROS formation (indirect) AND Radical >> Radical mechanism via ROS formation (indirect) >> Fused-Ring Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines by DNA binding by OASIS v.1.4

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as AN2 AND AN2 >> Michael-type addition to quinoid structures  AND AN2 >> Michael-type addition to quinoid structures  >> Substituted Anilines by Protein binding by OASIS v1.4

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Strong binder, NH2 group by Estrogen Receptor Binding

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acid moiety AND Anilines (Unhindered) AND Salt by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "g"

Similarity boundary:Target: Nc1cc(S(O)(=O)=O)cc2cccc(S(=O)(=O)O{-}.[Na]{+})c12
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "h"

Similarity boundary:Target: Nc1cc(S(O)(=O)=O)cc2cccc(S(=O)(=O)O{-}.[Na]{+})c12
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log BCF max which is >= 0.961 log(L/kg wet)

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log BCF max which is <= 1.07 log(L/kg wet)

Interpretation of results:

other: not sensitizing

Conclusions:

Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was predicted to be non sensitizing to the skin of male and female Hartley guinea pigs.

Executive summary:

The skin sensitization potential of Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor. Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was predicted to be non sensitizing to the skin of male and female Hartley guinea pigs.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not sensitising)

Additional information:

Various studieshas been investigated for the test chemicalSodium hydrogen 8-aminonaphthalene-1,6-disulfonate (CAS No:74543-22-9)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs for target chemicalSodium hydrogen 8-aminonaphthalene-1,6-disulfonate (CAS No:74543-22-9) and its structurally similar read across substancesSulphanilic Acid(CAS no:121-57-3)and D & C Red no. 33 (CAS no: 3567-66-6).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;

 

The skin sensitization potential of Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor. Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate was predicted to be non sensitizing to the skin of male and female Hartley guinea pigs.

 

The D. A. Basketter, E. W. Scholes, M. Cumberbatch, C. D. Evans, I. Kimber (1992) conducted the cumulative contact enhancement test (CCET) to study the sensitization potential ofstructurally similar read across substanceSulphanilic Acid(CAS no:121-57-3). To induce sensitization a group of 10 guinea pig were albino Dunkin-Hartley strain and weighed approximately 350 g at the start of testing were treated twice weekly for 2 weeks using 24 hrs occluded patches containing 25% sulphanilic acid in vehicle 0.9% PEG 400 (50/50, w/w) over the shoulder region. Immediately before the third application, the test and 4 control guinea pigs were injected with Freund's complete adjuvant in the shoulder region at the site to be patched. Test and control animals were challenged after a 12 days rest period by open application at the maximum nonirritant concentration (25%). Challenge sites were scored for erythema (scale 0-3) at 24- h and 48 h. Sulphanilic Acid did not produce any positive reaction and failedto induce any evidence of sensitization at higher concentrations in the cumulative contact enhancement test (CCET). Therefore Sulphanilic Acid (CAS no: 121-57-3) was considered to be non sensitizing.

 

 

The above results were further supported by maximization test conducted by Scientific Committee on Consumer Safety (SCCS, 2007) on ofstructurally similar read across substancechemical D & C Red no. 33 (CAS no: 3567-66-6) in female 15 (10 test and 5 control)Guinea pig. The intradermal induction of sensitization in the test group was performed in the nuchal region with a 5% dilution of the test item in 1% CMC and in an emulsion of Freund's Complete Adjuvant (FCA) / physiological saline. The epidermal induction of sensitization was conducted for 18 hours under occlusion with the test item at 25% in 1% CMC one week after the intradermal induction.The test areas are pretreated with 10 sodium-laureth-sulfates (SLS) 24 hours prior to application of the test item. The animals of the control group were intradermally induced with 1% CMC and FCA/physiological saline and epidermally induced with 1% CMC under occlusion following pre-treatment with 10% SLS. Cutaneous reactions were evaluated at 24 and 48 hours after removal of the dressing. No known skin sensitization reactions were observed in treated as well as control group. Hence the chemical D& C Red no. 33 (CAS no: 3567-66-6) was considered to be not sensitizing.

 

Thus on the basis of available data for thetarget chemicalSodium hydrogen 8-aminonaphthalene-1,6-disulfonate (CAS No:74543-22-9) and its structurally similar read across substancesSulphanilic Acid(CAS no:121-57-3)and D & C Red no. 33 (CAS no: 3567-66-6),it can be concluded thatchemical Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (CAS No:74543-22-9) is unable to cause skin sensitization and considered as non skin sensitizer.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

The skin sensitization potential of test substance Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (CAS No:74543-22-9) and its structurally similar read across substancesSulphanilic Acid(CAS no:121-57-3)and D & C Red no. 33 (CAS no: 3567-66-6) were observed in various studies. From the results obtained from these studies it is concluded that the chemical Sodium hydrogen 8-aminonaphthalene-1,6-disulfonate (CAS No:74543-22-9) is not likely to cause skin sensitization and hence can be classified as non skin sensitizer.