Registration Dossier
Registration Dossier
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EC number: 203-419-9 | CAS number: 106-65-0
Specific investigations: other studies
Administrative data
- Endpoint:
- endocrine system modulation
- Remarks:
- Binding to the human Estrogen Receptor alpha (hERalpha) in vitro
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- July 30, 2019
- 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:
- See attached justification.
Data source
Referenceopen allclose all
- Reference Type:
- other: Authoritative data base
- Title:
- Danish (Q)SAR Database
- Author:
- Danish EPA
- Year:
- 2 018
- Bibliographic source:
- Danish (Q)SAR Danish (Q)SAR database / (Q)SAR Models, Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark, http://qsar.food.dtu.dk, https://qsarmodels.food.dtu.dk
- Report date:
- 2019
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD Guideline 493 (Performance-Based Test Guideline for Human Recombinant Estrogen Receptor (hrER) In Vitro Assays to Detect Chemicals with ER Binding Affinity)
- Principles of method if other than guideline:
- See the justification for type of information.
- Endpoint addressed:
- toxicity to reproduction / fertility
Test material
- Reference substance name:
- Dimethyl succinate
- EC Number:
- 203-419-9
- EC Name:
- Dimethyl succinate
- Cas Number:
- 106-65-0
- Molecular formula:
- C6H10O4
- IUPAC Name:
- dimethyl succinate
Constituent 1
Test animals
- Species:
- other: human (in vitro)
Results and discussion
Any other information on results incl. tables
|
Exp |
Battery |
CASE Ultra |
Leadscope |
SciQSAR |
Estrogen Receptor α Binding, Full training set (Human in vitro) |
|
NEG_IN |
NEG_IN |
NEG_IN |
NEG_IN |
Applicant's summary and conclusion
- Conclusions:
- According to the result of the Battery algorithm, applied on CASE Ultra, Leadscope Predictive Data Miner and SciQSAR models, the endocrine‐disrupting property of dimethyl succinate (DMS), related to the 'Binding to the human Estrogen Receptor alpha (hERalpha) in vitro', was estimated as negative.
- Executive summary:
According to the result of the Battery algorithm, applied on CASE Ultra, Leadscope Predictive Data Miner and SciQSAR models, the endocrine‐disrupting property of dimethyl succinate (DMS), related to the 'Binding to the human Estrogen Receptor alpha (hERalpha) in vitro', was estimated as negative.
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