Registration Dossier

Diss Factsheets

Administrative data

Description of key information

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records
Reference
Endpoint:
skin sensitisation: in vivo (LLNA)
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
according to guideline
Guideline:
other: Given below
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.3
GLP compliance:
not specified
Type of study:
mouse local lymph node assay (LLNA)
Species:
mouse
Strain:
CBA
Sex:
female
Vehicle:
dimethyl sulphoxide
Concentration:

0.05, 0.1, 0.25 % (w/w)
No. of animals per dose:
4
Parameter:
other: Migrated information from in vivo LLNA study
Remarks on result:
other: Clinical observations: not sensitising.
Parameter:
SI
Remarks on result:
other: Test item concentration % (w/w); Stimulation Index 0; 1.00 0.05; 0.87 0.1; 0.97 0.25; 0.78 The EC3 value could not be calculated, since all S.I.´s are below the threshold value of 3.
Parameter:
other: disintegrations per minute (DPM)
Remarks on result:
other: see Remark
Remarks:
Test item concentration % (w/w); DPM per lymph node0; 861.6 0.05; 745.9 0.1; 835.1 0.25; 668.3 Since the lymph nodes of the animals of a dose group were pooled, DPM/node was determined by dividing the measured value by the number of lymph nodes pooled.

The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"
Estimation method: Takes mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

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

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 Aniline AND Aryl AND Fused carbocyclic aromatic AND Naphtalene AND Phenol AND Sulfonic acid by Organic Functional groups

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aniline AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups AND Phenol AND Sulfonic acid by Organic Functional groups (nested)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Alcohol, olefinic attach [-OH] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Hydroxy, aromatic attach [-OH] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] 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: "f"

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

Domain logical expression index: "g"

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

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by DPRA Lysine peptide depletion

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as High reactive OR High reactive >> Activated 1,3,5-triazine derivatives OR Low reactive OR Low reactive >> N-substituted aromatic amides by DPRA Lysine peptide depletion

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as No superfragment by Superfragments ONLY

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis ONLY

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Alcohol, olefinic attach [-OH] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Hydroxy, aromatic attach [-OH] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] 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: "m"

Referential boundary: The target chemical should be classified as Acid, aromatic attach [-COOH] OR Aliphatic Carbon [C] OR Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aliphatic Carbon, two phenyl attach [-C-]  OR Aliphatic Carbon, two phenyl attach [-CH2-]  OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Aliphatic Oxygen, two aromatic attach [-O-] OR Aliphatic Suflur, one aromatic attach [-S-] OR Aliphatic Sulfur, two aromatic attach OR Amide, aliphatic attach [-C(=O)N] OR Amide, aromatic attach [-C(=O)N] OR Amino, aliphatic attach [-N<] OR Amino, aliphatic attach [-NH-] OR Aromatic Nitrogen OR Aromatic Nitrogen, five-member ring OR Azo [-N=N-] OR Carbonyl, aliphatic attach [-C(=O)-] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic attach [-C(=O)-] OR Chlorine, aromatic attach [-Cl] OR Chlorine, olefinic attach [-Cl] OR Ester, aliphatic attach [-C(=O)O] OR Fluorine, aliphatic attach [-F] OR Fluorine, aromatic attach [-F] OR Fluorine, olefinic attach [-F] OR Hydroxy, aliphatic attach [-OH] OR Nitro, aromatic attach [-NO2] OR Nitrogen, two or tree olefinic attach [>N-] OR No functional group found OR Olefinic carbon [=CH2] OR Ortho-hydroxy to misc. -CO-  OR Oxygen, two olefinic attach [-O-] OR Pyridine, non fused rings  OR Sulfamide, aromatic attach [-SO2-N] OR Sulfone, aromatic attach [-SO2] OR Sulfone, two aromatic attach [-SO2-] OR Sulfonyl amide, aromatic attach [-S(=O)N-] OR Sulfoxide, aromatic attach [-S(=O)-] OR Sulfoxide, two aromatic attach [-S(=O)-] OR Sulfur, nitrogen attach [-S-] OR Tertiary Carbon OR Urea [-OC(=O)N-] by Organic functional groups (US EPA)

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar (Modified) ONLY

Domain logical expression index: "o"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3

Domain logical expression index: "p"

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.387

Interpretation of results:
not sensitising
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The substance 4-Amino-5-hydroxynaphthalene-1,7-disulphonic acid was estimated to be non sensitizing to Mouse by LLNA mode.
Executive summary:

The skin sensitization potential for 4-Amino-5-hydroxynaphthalene-1, 7-disulphonic acid is estimated using OECD QSAR toolbox version 3.3.The test substance is estimated to be not sensitizing to skin of Mouse by LLNA mode.

On the basis of available information for the target, the test substance can be considered as not sensitising to the skin.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)
Additional information:

Skin sensitization

 

The skin sensitization potential for 4-Amino-5-hydroxynaphthalene-1, 7-disulphonic acid is estimated using OECD QSAR toolbox version 3.3.The test substance is estimated to be not sensitizing to skin of Mouse by LLNA mode.

On the basis of available information for the target, the test substance can be considered as not sensitising to the skin.


Migrated from Short description of key information:
The skin sensitization potential for 4-Amino-5-hydroxynaphthalene-1, 7-disulphonic acid is estimated using OECD QSAR toolbox version 3.3.The test substance is estimated to be not sensitizing to skin of Mouse by LLNA mode.

Justification for selection of skin sensitisation endpoint:
The skin sensitization potential for 4-Amino-5-hydroxynaphthalene-1, 7-disulphonic acid is estimated using OECD QSAR toolbox version 3.3.The test substance is estimated to be not sensitizing to skin of Mouse by LLNA mode.The test substance can be considered as not sensitising to the skin.

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no study available

Justification for classification or non-classification

On the basis of available information for the target, the test substance can be considered as not sensitising to the skin.