Registration Dossier
Registration Dossier
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EC number: 806-591-9 | CAS number: 175481-37-5
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Remarks:
- in silico assessment
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- December 2016
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- According to ECHA guidance R7a, available information, QSARs and in chemico/in vitro testing should be considered in a weight of evidence approach before in vivo testing as a last resort. The in silico DEREK assessment, the in chemico DPRA and the in vitro KeratinoSens assay are considered to give a reliable result for prediction of skin sensitization as the DEREK covers the whole process in the in silico assessment (including obvious metabolism) and the first steps of skin sensitization are covered in the DPRA and KeratinoSens assays.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
- Principles of method if other than guideline:
- A DEREK assessment was performed.
- GLP compliance:
- no
- Remarks:
- QSAR not under GLP
- Type of study:
- other: QSARs and in chemico/in vitro testing should be considered in a weight of evidence approach before in vivo testing as a last resort. The in silico DEREK assessment covers the whole process in the in silico assessment (including obvious metabolism)
- Justification for non-LLNA method:
- The result is adequate to be used in a weight-of-evidence approach together with in chemico/in vitro studies to complete the endpoint skin sensitisation.
Since 11 October 2016 it is legally required to consider all available information for the endpoint skin sensitisation and to use a non in vivo test strategy based on in chemico, in silico and in vitro skin tests combined with a WoE. An in vivo test (LLNA) is only allowed as last resort.
Test material
- Reference substance name:
- 2-(acetylamino)-N-benzyl-3-methoxypropanamide
- EC Number:
- 700-539-8
- Cas Number:
- 175481-26-2
- Molecular formula:
- C13H18N2O3
- IUPAC Name:
- 2-(acetylamino)-N-benzyl-3-methoxypropanamide
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Appearance: White powder
Constituent 1
- Specific details on test material used for the study:
- SMILES: COCC(NC(C)=O)C(=O)NCC1=CC=CC=C1
Results and discussion
In vitro / in chemico
Results
- Key result
- Parameter:
- other: prediction skin sensitisation
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- DEREK predicted the substance to be not skin sensitising
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- DEREK NEXUS version 5.0.2 did not yield any alerts for skin sensitisation for the test item SPM20200 is predicted to be not sensitising to the skin.
- Executive summary:
DEREK NEXUS version 5.0.2 did not yield any alerts for skin sensitisation for the test item SPM20200 is predicted to be not sensitising to the skin.
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