5-amino-2-anilinobenzenesulphonic acid

Endpoint summary

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:

other: Data is from QSAR Toolbox version 3.4

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.4

GLP compliance:

not specified

Type of study:

guinea pig maximisation test

Species:

guinea pig

Strain:

Dunkin-Hartley

Sex:

not specified

Route:

intradermal

Vehicle:

unchanged (no vehicle)

Concentration / amount:

no data

Route:

epicutaneous, occlusive

Vehicle:

unchanged (no vehicle)

Concentration / amount:

no data

No. of animals per dose:

no data

Details on study design:

no data

Challenge controls:

no data

Positive control substance(s):

not specified

Reading:

1st reading

Hours after challenge:

48

Group:

test chemical

Clinical observations:

sensitizing

Remarks on result:

other: Reading: 1st reading. . Hours after challenge: 48.0. Group: test group. Clinical observations: sensitizing.

The prediction was based on dataset comprised from the following descriptors: "S M W N"
Estimation method: Takes highest mode value from the 8 nearest neighbours
Domain  logical expression:Result: In Domain

(((((("a" or "b" or "c" or "d" or "e" )  and ("f" and ( not "g") )  )  and ("h" and ( not "i") )  )  and ("j" and ( not "k") )  )  and ("l" and ( not "m") )  )  and ("n" and "o" )  )

Domain logical expression index: "a"

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

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aniline AND Aryl AND Sulfonic acid by Organic Functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aniline AND Aryl AND Overlapping groups AND Sulfonic acid by Organic Functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aliphatic Nitrogen, one aromatic attach [-N] AND Aliphatic Nitrogen, two aromatic attach [-N-] AND Aromatic Carbon [C] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, two or tree olefinic attach [>N-] AND Olefinic carbon [=CH- or =C<] AND Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate, aromatic attach [-SO2-O] by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Primary amine AND Primary aromatic amine AND Secondary amine AND Secondary aromatic amine AND Sulfonic acid AND Sulfonic acid derivative by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

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  >> N-Substituted Aromatic Amines AND AN2 >> Michael-type addition to quinoid structures  >> Substituted Anilines by Protein binding by OASIS v1.4

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Acylation involving an activated (glucuronidated) ester group OR Acylation >> Acylation involving an activated (glucuronidated) ester group >> Arenecarboxylic Acid Esters by Protein binding by OASIS v1.4

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Alkali Earth OR Halogens by Groups of elements

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Aromatic amines AND Sulfonic acids or their salts by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Ketones OR Phenols by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as No alert found by Protein binding alerts for Chromosomal aberration by OASIS v.1.2

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as AN2 OR AN2 >> Michael addition to the quinoid type structures OR AN2 >> Michael addition to the quinoid type structures >> Substituted Anilines by Protein binding alerts for Chromosomal aberration by OASIS v.1.2

Domain logical expression index: "n"

Parametric boundary:The target chemical should have a value of log Kow which is >= -2.08

Domain logical expression index: "o"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.89

Interpretation of results:

sensitising

Conclusions:

The substance Benzenesulfonic acid, 5-amino-2-(phenylamino)- is estimated to be sensitising to skin of Dunkin-Hartley guinea pigs.

Executive summary:

The skin sensitization potential for Benzenesulfonic acid, 5-amino-2-(phenylamino)- is estimated using OECD QSAR toolbox version 3.4. The test substance is estimated to be sensitising to skin of Dunkin-Hartley guinea pigs.

Endpoint conclusion

Endpoint conclusion:

adverse effect observed (sensitising)

Additional information:

Skin sensitization

Skin sensitization behaviour of test compound Benzenesulfonic acid, 5-amino-2-(phenylamino)-(CAS No:91-30-5)have been summarized below by using data from prediction model based estimation and its read across substances.

OECD QSAR toolbox version 3.4 estimated the skin sensitization potential of test chemicalBenzenesulfonic acid, 5-amino-2-(phenylamino)-(CAS No:91-30-5)by guinea pig maximization test. According to this prediction model, the test chemical was able to induce skin sensitization in guinea pigs. Thus the test compoundBenzenesulfonic acid, 5-amino-2-(phenylamino)-(CAS No: 91-30-5) is estimated to be sensitizing to skin of guinea pigs.

Another study was performed by IFA (GESTIS) 2016, for similar read across substance Sulfanilic acid (CAS No: 121­57­3) to observe its skin sensitization potential in guinea pigs and mouse via guinea pig maximization test and mouse ear swelling test. Since the chemical produced potentially skin sensitizing reactions in test animals, Sulfanilic acid (CAS No: 121­57­3) can be considered as sensitizing to guinea pigs and mouse.

BG Chemie (2000) reported skin sensitizing study for another similar read across substance 4-Nitro-4’-aminodiphenylamine-2-sulfonic acid (CAS No: 91-29-2) in guinea pigs. This study was conducted bythe Magnusson and Kligman guinea pig maximization testin accordance with OECD guideline No. 406. Based upon the preliminary investigations, sensitization test was performed. In this test 20 female Dunkin-Hartley guinea pigs (average initial weight: 385 g) were exposed to the test chemical 4-nitro-4’-aminodiphenylamine- 2-sulfonic acid (60.6% test compound; 3.4% dicondensation pro-duct, 0.8% p-diaminobenzene, 0.3% chloronitrous acid, 33.2% water) . 20 control animals were also used. The guinea pigs were induced intradermally and topically with 2.5% aqueous solution of test chemical which was followed by challenge treatment. During challenge animals were treated with the 25 % and 12% aqueous solution of test chemical and later observed for skin reactions. It was observed that all of the 20 guinea pigs that underwent induction showed positive reactions to both the 25 % and 12% aqueous solution, while the 20 controls did not exhibit skin reactions. Hence the test chemical 4-Nitro-4’-aminodiphenylamine-2-sulfonic acid (CAS No: 91-29-2) was considered to be sensitizing on female Dunkin-Hartley guinea pigs.

Thus the available data estimated by prediction model for target substance Benzenesulfonic acid, 5-amino-2-(phenylamino)-(CAS No:91-30-5) as well as available data for read across substances Sulfanilic acid (CAS No: 121­57­3) and 4-Nitro-4’-aminodiphenylamine-2-sulfonic acid (CAS No: 91-29-2) and applying weight of evidence approach indicates that the test chemical Benzenesulfonic acid, 5-amino-2-(phenylamino)-(CAS No:91-30-5) is likely to cause skin sensitization and thus can be classified as skin sensitizer.

Migrated from Short description of key information:

OECD QSAR toolbox version 3.4 estimated the skin sensitization potential of test chemical Benzenesulfonic acid, 5-amino-2-(phenylamino)- (CAS No:91-30-5)by guinea pig maximization test. According to this prediction model, the test chemical was able to induce skin sensitization in guinea pigs. Thus the test compound Benzenesulfonic acid, 5-amino-2-(phenylamino)- (CAS No: 91-30-5) is estimated to be sensitizing to skin of guinea pigs.

Justification for selection of skin sensitisation endpoint:

The substance Benzenesulfonic acid, 5-amino-2-(phenylamino)- is estimated to be sensitising to skin of Dunkin-Hartley guinea pigs.

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

The skin sensitization potential of test chemical substanceBenzenesulfonic acid, 5-amino-2-(phenylamino)-(CAS No:91-30-5)and its read acrosssubstances Sulfanilic acid (CAS No: 121­57­3) and 4-Nitro-4’-aminodiphenylamine-2-sulfonic acid (CAS No: 91-29-2)was observed in various studies. From the results obtained from these studies it is concluded that the chemical 1, 4-Dibromobutane (CAS No: 110-52-1) can cause skin sensitization and hence can be classified as a skin sensitizer.