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: estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.1
GLP compliance:
no
Type of study:
mouse local lymph node assay (LLNA)
Species:
human
Strain:
not specified
Sex:
male/female
Route:
epicutaneous, open
Vehicle:
no data
Route:
other: no data
Vehicle:
no data
Vehicle:
not specified
No. of animals per dose:
6-10
Parameter:
SI
Remarks on result:
other: EC3 = Strong sensitization in human
Parameter:
other: disintegrations per minute (DPM)
Remarks on result:
other: Positive





The prediction was based on dataset comprised from the following descriptors: EC3
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements

Domain logical expression index: "b"

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

Domain logical expression index: "c"

Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=10%,
Dice(Atom centered fragments)

Domain logical expression index: "d"

Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=20%,
Dice(Atom centered fragments)

Domain logical expression index: "e"

Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=30%,
Dice(Atom centered fragments)

Domain logical expression index: "f"

Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=40%,
Dice(Atom centered fragments)

Domain logical expression index: "g"

Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=50%,
Dice(Atom centered fragments)

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.638

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.7

Interpretation of results:
sensitising
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
In vivo LLNA study on human for skin sensitisation with 5-nitrosalicylic acid exhibits positive (stronge sensitizer) skin sensitisation results.
Executive summary:

In vivo LLNA study on human for skin sensitisation with 5-nitrosalicylic acid exhibits positive (stronge sensitizer) skin sensitisation results.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (sensitising)
Additional information:

Skin sensitisation

In vivo LLNA study on mouse for skin sensitisation with 5-nitrosalicylic acid exhibits positive (stronge sensitizer) skin sensitisation results.

Migrated from Short description of key information:

The test substance 5-nitrosalicylic acid was predicted as being sensitizing to the skin of mouse.

Justification for selection of skin sensitisation endpoint:

In vivo LLNA study on mouse for skin sensitisation with 5-nitrosalicylic acid exhibits positive (stronge sensitizer) skin sensitisation results.

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no study available

Justification for classification or non-classification

The test substance 5-nitrosalicylic acid is considered as sensitising for the purpose of classification.

Categories Display