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EC number: 808-234-2 | CAS number: 1211443-61-6
- 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:
- 19 May - 12 Jun 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- adopted in 1997
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- Version / remarks:
- adopted in 2008
- Deviations:
- no
- GLP compliance:
- yes
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 2-chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
- Cas Number:
- 1211443-61-6
- Molecular formula:
- C14 H17 Cl N4 O
- IUPAC Name:
- 2-chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Constituent 1
Method
- Target gene:
- his operon
Species / strain
- Species / strain / cell type:
- S. typhimurium, other: TA1535, TA97, TA98, TA100 and TA102
- Metabolic activation:
- with and without
- Metabolic activation system:
- cofactor supplemented post-mitochondrial fraction (S9 mix), prepared from the livers of male rats treated with Aroclor 1254 (500 mg/kg bw); S9 mix was tested in two concentrations of 5% and 10% (v/v)
- Test concentrations with justification for top dose:
- Dose-range finding test: 1.7, 5.4, 17, 52, 164, 512, 1600 and 5000 μg/plate for TA100 with (5% v/v) and without metabolic activation
The dose-range finding test is further reported as a part of Experiment 1.
Experiment 1: 52, 164, 512, 1600 and 5000 μg/plate for remaining strains with (5% v/v) and without metabolic activation
Experiment 2: 492, 878, 1568, 2800 and 5000 µg/plate for all strains with (10% v/v) and without metabolic activation - Vehicle / solvent:
- - Vehicle(s)/solvent(s) used: dimethyl sulfoxide (DMSO)
Controls
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- 2-nitrofluorene
- sodium azide
- methylmethanesulfonate
- other: ICR-191: -S9, 0.75 µg/plate in DMSO for TA97; tert-butyl hydroperoxide (TBH): -S9, 250 µg/plate in DMSO for TA102; 2-aminoanthracene (2AA): +S9, 2.5, 5, 1, 1, 2 and 10 µg/plate in DMSO for strains TA1535, TA97, TA98, TA100, TA 100 and TA102, respectively
- Remarks:
- Each S9 batch is characterized with the mutagens benzo-(a)-pyrene and 2-aminoanthracene, which require metabolic activation, in tester strain TA100 at concentrations of 5 μg/plate and 2.5 μg/plate, respectively.
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: plate incorporation
DURATION : 48 ± 4 h
NUMBER OF REPLICATIONS: Triplicates each in 2 independent experiments
DETERMINATION OF CYTOTOXICITY
- Method: reduction of the bacterial background lawn, increase in the size of the microcolonies and the reduction of revertant colonies
OTHER:
Revertant colonies were counted with the Sorcerer Colony Counter. - 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, TA97 and TA102 is not greater than 2 times the concurrent control, and the total number of revertants in tester strains TA1535, and TA98 is not greater than 3 times the concurrent 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, TA97 and TA102 is greater than 2 times the concurrent control, or the total number of revertants in tester strains TA1535 and, TA98 is greater than 3 times the concurrent control.
b) 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:
- Mean values and standard deviations were calculated.
Results and discussion
Test results
- Key result
- Species / strain:
- S. typhimurium, other: TA1535, TA97, TA98, TA100 and TA102
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity nor precipitates, but tested up to recommended limit concentrations
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- Precipitation: No precipitation of the test substance was observed in either the presence or absence of S9 mix.
HISTORICAL CONTROL DATA : The test results showed that the numbers of revertant colonies in the negative and positive controls were within the range of the historical data at the testing facility.
ADDITIONAL INFORMATION ON CYTOTOXICITY: No reduction of the bacterial background lawn and no biologically relevant decrease in the number of revertants were observed. - Remarks on result:
- other:
- Remarks:
- In strain TA102, a fluctuation in the number of revertant colonies above the laboratory historical control data range was observed in the presence of S9-mix at 512 μg/plate. Since the increase was less than two-fold (a maximum of 1.2-fold was reached), it was not considered to be biologically relevant.
Any other information on results incl. tables
Table 1. Results of dose-range finding test (as part of Experiment 1)
Dose (µg/plate) | Mean number of revertant colonies/3 replicate plates (± S.D.) | |||||
TA100 | ||||||
-S9 mix | +S9 mix (5%) | |||||
Positive control | 706 | ± | 115 | 533 | ± | 63 |
Solvent control | 91 | ± | 6 | 94 | ± | 27 |
1.7 | 104 | ± | 11 | 85 | ± | 12 |
5.4 | 105 | ± | 6 | 85 | ± | 6 |
17 | 95 | ± | 13 | 85 | ± | 19 |
52 | 86 | ± | 18 | 91 | ± | 16 |
164 | 97 | ± | 6 | 89 | ± | 7 |
512 | 106 | ± | 4 | 87 | ± | 9 |
1600 | 92 | ± | 6 | 95 | ± | 23 |
5000 | 90 | ± | 10 | 75 | ± | 13 |
Table 2. Results of Experiment 1
Dose (µg/plate) | Mean number of revertant colonies/3 replicate plates (± S.D.) | |||||||||||
TA1535 | TA98 | TA102 | TA97 | |||||||||
-S9 mix | ||||||||||||
Positive control | 800 | ± | 5 | 1411 | ± | 56 | 876 | ± | 136 | 1605 | ± | 31 |
Solvent control | 5 | ± | 2 | 10 | ± | 5 | 403 | ± | 24 | 136 | ± | 19 |
52 | 11 | ± | 4 | 11 | ± | 4 | 300 | ± | 11 | 131 | ± | 11 |
164 | 13 | ± | 2 | 14 | ± | 5 | 322 | ± | 26 | 122 | ± | 10 |
512 | 14 | ± | 3 | 14 | ± | 4 | 375 | ± | 23 | 121 | ± | 6 |
1600 | 7 | ± | 1 | 16 | ± | 4 | 388 | ± | 15 | 125 | ± | 8 |
5000 | 5 | ± | 4 | 10 | ± | 4 | 334 | ± | 21 | 113 | ± | 8 |
+S9 mix (5%) | ||||||||||||
Positive control | 176 | ± | 18 | 1062 | ± | 76 | 732 | ± | 152 | 2074 | ± | 103 |
Solvent control | 7 | ± | 4 | 17 | ± | 2 | 371 | ± | 21 | 142 | ± | 12 |
52 | 9 | ± | 4 | 18 | ± | 5 | 420 | ± | 27 | 154 | ± | 21 |
164 | 7 | ± | 3 | 17 | ± | 1 | 394 | ± | 71 | 155 | ± | 7 |
512 | 8 | ± | 4 | 17 | ± | 2 | 440 | ± | 36 | 139 | ± | 13 |
1600 | 9 | ± | 3 | 17 | ± | 8 | 408 | ± | 27 | 147 | ± | 29 |
5000 | 4 | ± | 1 | 13 | ± | 4 | 401 | ± | 16 | 137 | ± | 20 |
Table 3. Results of Experiment 2
Dose (µg/plate) | Mean number of revertant colonies/3 replicate plates (± S.D.) | ||||||||||||||
TA1535 | TA98 | TA100 | TA102 | TA97 | |||||||||||
-S9 mix | |||||||||||||||
Positive control | 922 | ± | 27 | 1172 | ± | 232 | 1266 | ± | 119 | 1331 | ± | 296 | 1488 | ± | 76 |
Solvent control | 10 | ± | 5 | 14 | ± | 6 | 104 | ± | 11 | 327 | ± | 41 | 152 | ± | 6 |
492 | 14 | ± | 1 | 30 | ± | 9 | 109 | ± | 13 | 238 | ± | 51 | 152 | ± | 9 |
878 | 10 | ± | 5 | 24 | ± | 5 | 102 | ± | 25 | 267 | ± | 31 | 163 | ± | 20 |
1568 | 10 | ± | 3 | 12 | ± | 4 | 105 | ± | 8 | 306 | ± | 29 | 155 | ± | 7 |
2800 | 14 | ± | 6 | 10 | ± | 2 | 122 | ± | 3 | 239 | ± | 46 | 155 | ± | 15 |
5000 | 10 | ± | 2 | 18 | ± | 9 | 104 | ± | 11 | 247 | ± | 18 | 171 | ± | 21 |
+S9 mix (10%) | |||||||||||||||
Positive control | 251 | ± | 71 | 789 | ± | 88 | 1206 | ± | 152 | 718 | ± | 53 | 1812 | ± | 179 |
Solvent control | 21 | ± | 6 | 24 | ± | 5 | 92 | ± | 23 | 315 | ± | 52 | 174 | ± | 20 |
492 | 17 | ± | 3 | 26 | ± | 9 | 90 | ± | 10 | 313 | ± | 19 | 177 | ± | 6 |
878 | 13 | ± | 2 | 18 | ± | 5 | 85 | ± | 15 | 303 | ± | 30 | 197 | ± | 24 |
1568 | 12 | ± | 4 | 21 | ± | 3 | 80 | ± | 6 | 326 | ± | 34 | 173 | ± | 7 |
2800 | 14 | ± | 2 | 22 | ± | 4 | 79 | ± | 13 | 300 | ± | 11 | 183 | ± | 5 |
5000 | 8 | ± | 4 | 21 | ± | 4 | 87 | ± | 1 | 308 | ± | 29 | 167 | ± | 20 |
Table 4. Historical solvent control data from experiments performed between May 2015 and May 2017
TA1535 | TA97 | TA98 | TA100 | TA102 | ||||||
S9-mix | - | + | - | + | - | + | - | + | - | + |
Range | 3 -36 | 3 - 32 | 85 - 191 | 93 - 199 | 8 - 41 | 9 - 55 | 66 - 161 | 63 - 160 | 195 - 475 | 264 - 428 |
Mean | 11 | 11 | 122 | 151 | 16 | 23 | 105 | 105 | 269 | 336 |
SD | 4 | 4 | 31 | 27 | 5 | 7 | 19 | 20 | 44 | 37 |
n | 2057 | 2039 | 45 | 45 | 2023 | 2083 | 2027 | 2033 | 267 | 288 |
SD = standard deviation
n = number ob observations
Table 5. Historical positive control data from esperiments performed between May 2015 and May 2017
TA1535 | TA97 | TA98 | TA100 | TA102 | ||||||
S9-mix | - | + | - | + | - | + | - | + | - | + |
Range | 125 - 1381 | 78 - 1058 | 652 - 2026 | 915 – 2405 | 410 – 1995 | 250 - 1977 | 537 – 1848 | 408 - 2651 | 618 – 1215 | 628 – 1154 |
Mean | 839 | 220 | 1131 | 1785 | 1369 | 929 | 908 | 1330 | 857 | 885 |
SD | 153 | 112 | 312 | 446 | 310 | 345 | 178 | 324 | 255 | 153 |
n | 2065 | 1967 | 48 | 45 | 1920 | 2014 | 2007 | 2020 | 10 | 26 |
SD = standard deviation
n = number ob observations
Applicant's summary and conclusion
- Conclusions:
- Under the conditions of the conducted study the substance was not mutagenic in any of the five Salmonella typhimurium strains (TA1535, TA97, TA98, TA100 and TA102) tested with and without metabolic activation.
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