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EC number: 213-742-7 | CAS number: 1006-23-1
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- 5-nitro-2,4,6-triaminopyrimidine
- EC Number:
- 213-742-7
- EC Name:
- 5-nitro-2,4,6-triaminopyrimidine
- Cas Number:
- 1006-23-1
- Molecular formula:
- C4 H6 N6 O
- IUPAC Name:
- 5-nitropyrimidine-2,4,6-triamine
- Details on test material:
- - Name of test material (as cited in study report): 5-Nitroso-2,4,6-triaminopyrimidine
- Analytical purity: 100 % (HPLC at 328 nm)
- Physical state: Solid / pink to red
- Homogeneity: homogeneous by visual inspection
- Storage conditions: Room temperature
Constituent 1
In chemico test system
- Details on the study design:
- synthetic peptides (Cysteine- (C-) containing peptide: Ac-RFAACAA-COOH; Lysine- (K-) containing peptide: Ac-RFAAKAA-COOH)
The test substance was prepared as a 100 mM stock solution in methanol just prior to incubation with the synthetic peptides.
Synthetic peptides:
Cysteine- (C-) containing peptide: Ac-RFAACAA-COOH (MW=751.9 g/mol)
Lysine- (K-) containing peptide: Ac-RFAAKAA-COOH (MW=776.2 g/mol)
The peptides are custom material (Supplier: RS Synthesis, Louisville KY, USA) containing phenylalanine to aid in detection and
either cysteine or lysine as the reactive center.
Negative control (NC): vehicle control = methanol
Positive control (PC): Ethylene glycol dimethacrylate (CAS-no. 97-90-5)
Because the test substance preparation was incubated with the peptide shortly after preparation, no analysis of the test substance in the vehicle was performed.
Three samples of the test substance were incubated with each peptide for 24h at room temperature. The incubation tubes were sealed. Additionally triplicates of the concurrent vehicle control (= NC) were incubated with the peptides. The remaining non-depleted peptide concentration was determined thereafter by HPLC with gradient elution and UV-detection at 220 nm. In addition peptide standards of known concentration, prepared from the respective peptide stock solution used for test substance incubation, were measured in parallel with the same analysis method.
The test substance was incubated with the Cysteine-containing peptide in a ratio of 1:10 (0.5 mM peptide, 5 mM test substance, pH 7.5 phosphate buffer
) and with the Lysine-containing peptide in a ratio of 1:50 (0.5 mM peptide, 25 mM test substance, pH 10.2 ammonium acetate buffer).
The mean peptide depletion of a test substance was calculated as the mean value of Cys containing peptide depletion and Lys-containing peptide depletion.
According to the classification tree model described by Gerberick et al. for substances with known molecular weight highly reactive test substance (mean peptide depletion > 42.47 %) is predicted to be a strong sensitizer, a moderately reactive test substance (22.62 % < mean peptide depletion < 42.47 %) a moderate sensitizer, a test substance of low reactivity (6.38 % < mean peptide depletion < 22.62 %) a weak sensitizer.
Results and discussion
- Positive control results:
- 70% of the peptide was depleted by the positive control substance ethylene glycol dimethacrylate using methanol as solvent.
In vitro / in chemico
Results
- Run / experiment:
- other: Cys-Peptide
- Parameter:
- other: % peptide depletion
- Value:
- 75
- Vehicle controls validity:
- valid
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
Any other information on results incl. tables
The mean Cysteine-peptide depletion, caused by the test substance was determined to be 75.70 %.
The mean Lysine-peptide depletion, caused by the test substance was determined to be -0.77%.
Negative depletions were considered to be “zero” for calculation of the mean peptide depletion, which was thus calculated to be 37.85 %.
No co-elution of test substance and peptides was noticed.
Details are provided in the table.
Applicant's summary and conclusion
- Interpretation of results:
- other: peptide binding
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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