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EC number: 821-180-4 | CAS number: 1417421-99-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 08 September 2016 to 13 October 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Study conducted according to OECD Guideline 471 and EC No. 440/2008, Part B: Methods for the Determination of Toxicity and other health effects, Guideline B. 13/14. No deviations were recorded.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: European Community (EC). Commission Regulation (EC) No. 440/2008, Part B.: Methods for the Determination of Toxicity and other health effects, Guideline B. 13/14
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 3-bromo-5-fluoro-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
- Cas Number:
- 1417421-99-8
- Molecular formula:
- C14H10BrFN2O2S
- IUPAC Name:
- 3-bromo-5-fluoro-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: I15ID3592
- Expiration date of the lot/batch: 21-09-2017
- Purity test date: 28-04-2016
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: The test item was dissolved in tetrahydrofuran (THF; Hipersolv Chromanorm, VWR, Belgium)
OTHER SPECIFICS: A correction factor of 1.00 for the purity/composition of the test item was applied
Method
- Target gene:
- The Histidine locus (S. typhimurium histidine-dependent strains TA98, TA100, TA102, TA1535 and TA1537)
Species / strain
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and TA 102
- Additional strain / cell type characteristics:
- not applicable
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9-mix (Aroclor 1254 induced rat liver metabolic activation system)
- Test concentrations with justification for top dose:
- - Dose-range finding test: 1.7, 5.4, 17, 52, 164, 512, 1600 and 5000 μg/plate; The highest concentration of the test item used in the subsequent mutation assay was the level at which the test item exhibited limited solubility, 512 μg/plate in the first mutation experiment and 492 μg/plate in the second mutation experiment.
- Mutation experiment I: : 1.7, 5.4, 17, 52, 164, 512, 1600 and 5000 μg/plate
- Mutation experiment II: 48, 86, 154, 275 and 492 µg/plate - Vehicle / solvent:
- - Vehicle(s)/solvent(s) used: For Test Article: Tetra hydrofuran (THF)
For Positive Controls: DMSO and saline
- Justification for choice of solvent/vehicle: The test item was observed to be insoluble in water, dimethyl sulfoxide and ethanol at 50 mg/ml. In THF, the test item was soluble at 100 mg/ml (= 5000 µg/plate). Based on these solubility findings, THF was selected as vehicle.
Controlsopen allclose all
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- sodium azide
- Remarks:
- Without metabolic activation, 5 μg/plate (TA1535), dissolved in Saline
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: ICR-191
- Remarks:
- Without metabolic activation, 2.5 μg/plate (TA1537), dissolved in DMSO
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- 2-nitrofluorene
- Remarks:
- Without metabolic activation, 10 μg/plate (TA98), dissolved in DMSO
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- methylmethanesulfonate
- Remarks:
- Without metabolic activation, 650 μg/plate (TA100), dissolved in DMSO
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: tert-butyl hydroperoxide
- Remarks:
- Without metabolic activation, 250 μg/plate (TA102), dissolved in DMSO
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: 2-aminoanthracene
- Remarks:
- With metabolic activation, 2.5 μg/plate (TA1535 at 5 and 10% S9; TA1537 at 5% S9), 5 μg/plate (TA1537 at 10% S9), 1 μg/plate (TA98 at 5 and 10% S9; TA100 at 5% S9), 2 μg/plate (TA100 at 10% S9), 10 μg/plate (TA102 at 5 and 10% S9), dissolved in DMSO
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in agar (plate incorporation)
DURATION
- Exposure duration: 48+-4h
SELECTION AGENT (mutation assays): Histidine (S. Typhimurium histidine-dependent strains)
NUMBER OF REPLICATIONS: all concentrations for all experiments were tested in triplicate
NUMBER OF CELLS EVALUATED: the number of revertant colonies was counted for each plate.
DETERMINATION OF CYTOTOXICITY
- Method: the reduction of the bacterial background lawn; the increase in the size of the microcolonies; the reduction of the revertant colonies
- Any supplementary information relevant to cytotoxicity: any increase in the total number of revertants was evaluated for its biological relevance inclusing a comparison of the results with the historical control data range. - Evaluation criteria:
- A test item is considered negative (not mutagenic) in the test if:
a) The total number of revertants in the tester strain TA100 or TA102 is not greater than two (2) times the concurrent control, and the total number of revertants in tester strains TA1535, TA1537 or TA98 is not greater than three (3) times the concurrent vehicle control.
b) The negative response should be reproducible in at least one follow-up experiment.
A test item is considered positive (mutagenic) in the test if:
a) The total number of revertants in tester strain TA100 or TA102 is greater than two (2) times the concurrent control, or the total number of revertants in tester strain TA1535, TA1537 or TA98 is greater than three (3) times the concurrent control.
b) A concentration related effect is observed.
c) In case a follow up experiment is performed when a positive response is observed in one of the tester strains, the positive response should be reproducible in at least one follow up experiment. - Statistics:
- No formal hypothesis testing was done.
Results and discussion
Test resultsopen allclose all
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 102
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- Water solubility: The test item was observed to be insoluble in water, dimethyl sulfoxide and ethanol at 50 mg/ml. In THF, the test item was soluble at 100 mg/ml (= 5000 µg/plate).
- Precipitation: Precipitation of the test item on the plates was observed at the start and at the end of the incubation period at concentrations of 512 µg/plate and upwards.
Dose range finding test: precipitation on the plates at the end of the incubation period was also observed at the concentration of 164 µg/plate.
Mutation experiment 1: Precipitation of the test item on the plates was observed at the start and at the end of the incubation period at concentrations of 512 µg/plate and upwards.
Mutation experiment 2: Precipitation of the test item on the plates was observed at the start and at the end of the incubation period at the concentration of 492 µg/plate.
RANGE-FINDING/SCREENING STUDIES: The test item was tested in tester strain TA100 at concentrations of 1.7, 5.4, 17, 52, 164, 512, 1600 and 5000 μg/plate in the absence and presence of S9-mix. Based on the results of the dose range finding test, the following dose range was selected for the first mutation experiment with the tester strains, TA1535, TA1537, TA98 and TA102 in the absence and presence of 5% (v/v) S9-mix: 5.4, 17, 52, 164 and 512 μg/plate.
HISTORICAL CONTROL DATA (with ranges, means and standard deviation and confidence interval (e.g. 95%)
- Positive historical control data: The strain-specific positive control values were within the laboratory historical control data ranges, except the response for TA102 in the second mutation experiment (absence of S9-mix). Since the values were more than two-fold greater than the concurrent solvent control value, for TA102, this deviation in the mean plate count of the positive control had no effect on the validity of the results.
- Negative (solvent/vehicle) historical control data: The negative control values were within the laboratory historical control data ranges except the response for TA102 in the second mutation experiment (absence of S9-mix). Since the mean number of revertant colonies showed a slightly lower number of revertant colonies (206 revertant colonies) when compared against relevant historical control data (225 revertant colonies), the validity of the test was considered not to be affected.
ADDITIONAL INFORMATION ON CYTOTOXICITY:
- Measurement of cytotoxicity used: Reduction in bacterial background lawn; increase in size of the microcolonies; reduction of revertant colonies.
- Other observations when applicable: The strain-specific positive control values were within the laboratory historical control data ranges indicating that the test conditions were adequate and that the metabolic activation system functioned properly, except the responses TA102 (second experiment, absence of S9-mix). The positive control is included as a reference for the test system, where a positive response is required to check if the test system functions correctly. Since the values was more than two-fold greater than the concurrent solvent control value, for TA102, this deviation in the mean plate count of the positive control had no effect on the validity of the results.
Applicant's summary and conclusion
- Conclusions:
- Based on the results of this study it is concluded that the test item is not mutagenic in the Salmonella typhimurium reverse mutation assay.
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