Registration Dossier
Registration Dossier
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EC number: 205-999-9 | CAS number: 280-57-9
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in mammalian cells
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- 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:
- 1. SOFTWARE: QSAR Toolbox 4.5, Database version: 4.5
2. MODEL (incl. version number) Mutations in HGPRT (Hypoxanthine-guanine phosphoribosyltransferase) Locus in Chinese Hamster Ovary (CHO) Cells - Danish QSAR DB SciQSAR model (v.1.0)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL C1CN2CCN1CC2
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Human health hazards -> Genetic Toxicity -> in Vitro -> Mammalian Cell Gene Mutation Assay -> Gene mutation -> Chinese hamster -> With S9 -> CHO Cells
- Defined domain of applicability: The target chemical FALLS within the applicability domain
Data source
Reference
- Reference Type:
- other: QSAR Toolbox prediction for single chemical
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Predicted endpoint: Gene mutation; No effect specified; Chinese hamster; No duration specified; No guideline specified
Unit/scale: Gene mutation I
Data gap filling method: SAR/QSAR prediction
Name of the QSAR model: Mutations in HGPRT (Hypoxanthine-guanine phosphoribosyltransferase) Locus in Chinese Hamster Ovary (CHO) Cells - Danish QSAR DB SciQSAR model - GLP compliance:
- no
- Type of assay:
- in vitro mammalian cell gene mutation test using the Hprt and xprt genes
Test material
- Reference substance name:
- 1,4-diazabicyclooctane
- EC Number:
- 205-999-9
- EC Name:
- 1,4-diazabicyclooctane
- Cas Number:
- 280-57-9
- Molecular formula:
- C6H12N2
- IUPAC Name:
- 1,4-diazabicyclooctane
Constituent 1
Results and discussion
Test results
- Key result
- Species / strain:
- Chinese hamster Ovary (CHO)
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
- Additional information on results:
- see also attached QPRF
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
- Remarks:
- Predicted endpoint: Gene mutation; No effect specified; Chinese hamster; No duration specified; No guideline specified Predicted value: Negative Unit/scale: Gene mutation I Data gap filling method: SAR/QSAR prediction Name of the QSAR model: Mutations in HGPRT (Hypoxanthine-guanine phosphoribosyltransferase) Locus in Chinese Hamster Ovary (CHO) Cells - Danish QSAR DB SciQSAR model
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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