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EC number: 241-602-5 | CAS number: 17625-03-5
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Version / remarks:
- 04. Feb. 2015
- Deviations:
- yes
- Remarks:
- Please, see all deails in field "Principles of method if other than guideline".
- Principles of method if other than guideline:
- Deviations from the Guideline
- No historical data were available for the positive control 2,3-butanedione during the experimental phase of the study. This was considered uncritical because 2,3-butanedione is one of the proficiency chemicals and was shown to be suitable during in-house proficiency testing.
- The planned buffer concentrations for dissolution of the Cys-peptide and Lys-peptide were 25 mM instead of 100 mM. This was considered uncritical, because the buffer strength was sufficient, confirmed by the positive controls.
- The phosphate buffer used for dissolution of the Cys-peptide was prepared by dis-solving disodium hydrogen phosphate dihydrate and adjusting the pH by using NaOH instead of using sodium dihydrogen phosphate monohydrate and disodium hydrogen phosphate heptahydrate in combination. This was considered uncritical because the same ions are formed irrespective of the used phosphate salt, and the pH was adjusted to the correct value.
- Due to an error on the protocol for the co-elution controls of the Lys-peptide, there was 200 μL acetonitrile and 50 μL test item stock solution in the samples instead of only 250 μL test item stock solution. This was considered uncritical, co-elution with the test item could be excluded also with the lower amount of test item.
The deviations were assessed and signed by the study director on 03. Jun. 2019. - GLP compliance:
- yes (incl. QA statement)
- Type of study:
- other: direct peptide reactivity assay (DPRA)
- Justification for non-LLNA method:
- According to Annex VII of REACH Regulation.
Test material
- Reference substance name:
- Sodium hydrogen m-sulphonatobenzoate
- EC Number:
- 241-602-5
- EC Name:
- Sodium hydrogen m-sulphonatobenzoate
- Cas Number:
- 17625-03-5
- Molecular formula:
- C7H6O5S.Na
- IUPAC Name:
- sodium 3-sulfobenzoate
- Test material form:
- solid: particulate/powder
- Details on test material:
- White crystalline powder.
Constituent 1
- Specific details on test material used for the study:
- Name sodium 3-sulfobenzoate
Batch no. 170103
CAS No. 17625-03-5
Purity > 99.0% (Titration with NaOH, Glass indicating electrode, Calomel reference electrode)
Expiry date 1 4. Feb. 2019
Storage Room Temperature (20 ± 5°C), keep away from humidity
In chemico test system
- Details on the study design:
- The direct peptide reactivity assay (DPRA) is an in chemico assay to quantify the reactivity of the test item towards cysteine and lysine containing peptides. This reactivity is related to the skin sensitisation potential.
To quantify the sensitisation potential, the depletion of the cysteine and lysine containing peptides caused by known amounts of the test item is measured using HPLC.
The assay is used for supporting the discrimination between skin sensitizers (i.e. UN GHS Category 1) and non-sensitizers in accordance with the UN GHS. A categorization in the sub-categories 1 A and 1 Bis not possible.
Results and discussion
- Positive control results:
- The mean peptide depletion and standard deviation of the three replicates of the positive control cinnamaldehyde were in the acceptable range of 60.8 – 100.0 %
and ≤ 14.9 %, respectively, for the Cys-peptide.
The mean peptide depletion and standard deviation of the three replicates of the positive control 2,3-Butanedione were in the acceptable range of 10.0 – 45.0 % and ≤ 11.6 %, respectively, for the Lys-peptide.
In vitro / in chemico
Resultsopen allclose all
- Run / experiment:
- other: Test item Rep. 1
- Parameter:
- other: Lys-Peptide depletion %
- Value:
- 0.18
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: Test item Rep. 2
- Parameter:
- other: Lys-Peptide depletion %
- Value:
- 0
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: Test item Rep. 3
- Parameter:
- other: Lys-Peptide depletion %
- Value:
- 0
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: Test item mean value
- Parameter:
- other:
- Value:
- 0.06
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: Test item Rep. 1
- Parameter:
- other: Cys-Peptide depletion %
- Value:
- 0
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: Test item Rep. 2
- Parameter:
- other: Cys-Peptide depletion %
- Value:
- 0.58
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: Test item Rep. 3
- Parameter:
- other: Cys-Peptide depletion %
- Value:
- 1.45
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: Test item mean value
- Parameter:
- other: Cys-Peptide depletion %
- Value:
- 0.68
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- Mean peptide depletion % = 0.37
Cysteine 1:10/lysine 1:50 reactivity class: Minimal - Prediction negative
Any other information on results incl. tables
Mean depletion of both peptides after incubation with the test item: 0.37 %
Acceptance criteria
a) The mean peptide depletion value for the positive control cinnamaldehyde should be 60.8 % - 100 % with a maximum standard deviation (SD) of < 14.9 % for the Cys-peptide.
b) The mean peptide depletion value for the positive control 2,3-butanedione should be 10 % - 45 % with a maximum standard deviation < 11.6 % for the Lys-peptide.
c) The standard deviation for the test item replicates should be < 14.9 % for the per-cent cysteine depletion and < 11.6 % for the percent lysine depletion
Assessment
a) The mean peptide depletion and standard deviation of the three replicates of the positive control cinnamaldehyde were in the acceptable range of 60.8 – 100.0 % and ≤ 14.9 %, respectively, for the Cys-peptide.
b) The mean peptide depletion and standard deviation of the three replicates of the positive control 2,3-Butanedione were in the acceptable range of 10.0 – 45.0 % and ≤ 11.6 %, respectively, for the Lys-peptide.
c) The standard deviation for the test item replicates was < 14.9 % for the percent cysteine depletion for the test item. The standard deviation for the test item replicates was < 11.6 % for the percent lysine depletion for the test item.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The mean peptide depletion in the Lys-peptide and Cys-peptide assay was 0.37 %, there-fore the test item was classified with:
DPRA Prediction: Negative
Reactivity class: Minimal - Executive summary:
This study is performed in order to estimate the skin sensitisation potential of sodium 3 -sulfobenzoate using a peptide model.
The direct peptide reactivity assay (DPRA) is an in chemico assay to quantify the reactivity of the test item towards cysteine and lysine containing peptides. This reactivity is related to the skin sensitisation potential.
To quantify the sensitisation potential, the depletion of the cysteine and lysine containing peptides caused by known amounts of the test item is measured using HPLC. As a results no skin sensitisation potential has been identified for sodium 3 -sulfobenzoate.
The mean peptide depletion in the Lys-peptide and Cys-peptide assay was 0.37 %, there-fore the test item was classified with:
- DPRA Prediction: Negative
- Reactivity class: Minimal.
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