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EC number: 841-500-6 | CAS number: 1903008-80-9
- 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
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 06 Oct 2020 to 05 Nov 2020
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Version / remarks:
- July 1992
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: ISO 10634 - "Water Quality - Preparation and treatment of poorly water-soluble organic compounds for the subsequent evaluation of their biodegradability in an aqueous medium
- Version / remarks:
- 2018
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- N-{5-[(4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl)amino]-4-methoxy-2-(morpholin-4-yl)phenyl}prop-2-enamide
- EC Number:
- 841-500-6
- Cas Number:
- 1903008-80-9
- Molecular formula:
- C30H34N8O3
- IUPAC Name:
- N-{5-[(4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl)amino]-4-methoxy-2-(morpholin-4-yl)phenyl}prop-2-enamide
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source (i.e. manufacturer or supplier) and lot/batch number of test material: M20BD0542
- Purity, including information on contaminants, isomers, etc.: 99.8%
- Expiration date of the lot/batch: 2022-02-19 (retest date)
- Purity test date: 202-05-25 (certificate of analysis release date)
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under test conditions: not available
- Solubility and stability of the test substance in the solvent vehicle: solubility in water: not available
Study design
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- - Source: The source of test organisms was activated sludge freshly obtained from a municipal sewage treatment plant: 'Waterschap Aa en Maas', 's-Hertogenbosch, The Netherlands, receiving predominantly domestic sewage
- Storage conditions: sludge was kept under continuous aeration until further treatment.
- Preparation of inoculum for exposure: Before use, sludge was coarsely sieved (1 mm).
- Pretreatment: no
- Concentration of sludge: the concentration of suspended solids (SS) was determined to be 3 g/L in concentrated sludge as used for the test. Magnetically stirred sludge was used as inoculum at an amount of 3 mL per liter of mineral medium, leading to a SS concentration of 9 mg/L
- Water filtered: Tap-water purified by reverse osmosis (Milli-RO) and subsequently passed over activated carbon. - Duration of test (contact time):
- 28 d
Initial test substance concentrationopen allclose all
- Initial conc.:
- 19 mg/L
- Based on:
- test mat.
- Initial conc.:
- 12 mg/L
- Based on:
- TOC
- Remarks:
- The organic carbon content was based on the molecular formula.
Parameter followed for biodegradation estimation
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Remarks:
- CO2 produced in each test bottle reacted with barium hydroxide in the gas scrubbing bottle and precipitated out as barium carbonate. The amount of CO2 produced wasdetermined by titrating remaining Ba(OH)2 with 0.05 M standardized HCl
- Details on study design:
- TEST CONDITIONS
- Composition of medium: test water prepared according to test guidelines, analytical grade salts
dissolved in tap-water purified by reverse osmosis (Milli-RO) and subsequently passed over activated carbon.
* mineral stock solution A: 8.5 g KH2PO4, 21.75 g K2HPO4, 67.20 g Na2HPO4.12H2O, 0.5 gNH4Cl
dissolved in 1 L Milli-Q water, pH 7.4 ± 0.2
* mineral stock solution B: 22.50 g MgSO4.7H2O dissolved in 1 L Milli-Q water
* mineral stock solution C: 36.4 g CaCl2.2H2O dissolved in 1 L Milli-Q water
* mineral stock solution D: 0.25 g FeCl3.6H2O dissolved in 1 L Milli-Q water
* Final test medium: 10 mL of solution A and 1 mL of solutions B, C and D per L of test medium
- Additional substrate: no
- Test temperature: 22-23°C
- pH: 7.4-7.7, measured prior to testing in each test flask before addition of inoculum, and again in each test flask at the end of the incubation period
- pH adjusted: no
- Aeration of dilution water: The test solutions were continuously stirred during the test.
- Continuous darkness: yes
TEST SYSTEM
- Culturing apparatus: 2-L all-glass brown coloured bottles
- Number of culture flasks/concentration:
* test substance and inoculum: 2 replicates
* inoculum blank: 2 replicates
* positive control: 1 replicate
* toxicity control: 1 replicate
- Method used to create aerobic conditions: A mixture of oxygen (~20%) and nitrogen (~80%) was
passed through a bottle, containing 0,5 - 1 L 0,0125 M Ba(OH)2 solution to trap CO2. The synthetic air was sparged through the scrubbing solutions at a rate of ~1-2 bubbles per second (~30-100 mL/min). The initial suspension of unspiked test medium and inoculum was aerated with this CO2-free air overnight to purge the system of CO2 prior to testing. This CO2-free air was also used for aeration during the test.
- Measuring equipment: CO2-evolution was determined through titration of the remaining Ba(OH)2
with 0.05 M standardized HCl.
- Details of trap for CO2 and volatile organics if used: Three CO2-absorbers (bottles filled with 100 mL 0.0125 M Ba(OH)2 were connected in series to the exit air line of each test bottle.
SAMPLING
- Sampling frequency: every second or third day during the first 10 days, and thereafter at least every
fifth day until the 28th day
- Sampling method: the absorber bottle closest to the incubation system was sampled each time, the second and third bottle were moved one position closer to the system and a new bottle was added at the end
- On the 28th day, pH of test suspensions was measured and 1 mL of concentrated HCl was added to each bottle. Bottles were aerated overnight to drive off CO2 present in the test suspension. The final titration was made on day 29.
CONTROL AND BLANK SYSTEM
- Inoculum blank: yes, two replicates with only inoculum
- Toxicity control: yes, one replicate with test item, reference substance, and inoculum
- Procedure/positive control: yes, 1 replicate with reference item and inoculum
Reference substance
- Reference substance:
- benzoic acid, sodium salt
- Remarks:
- Sodium acetate
Results and discussion
- Test performance:
- 1. The procedural control item was biodegraded by at least 60 % (actual result: 93 %) within 14 days.
2. Difference between duplicate values for %-degradation of the test item was always less than 20 % (actual result: ≤ 10 %).
3. Total CO2 release in the blank at the end of the test did not exceed 40 mg/L (51 mg CO2 per 2 liters of medium, corresponding to 25 mg CO2/L).
4. Inorganic Carbon content (IC) of the test item (suspension) in mineral medium at the beginning of the test was less than 5 % of the Total Carbon content (TC). Since the test medium was prepared in tap-water purified by reverse osmosis (Milli-RO water (Millipore Corp., Bedford, Mass., USA, carbon levels < 500 ppb)), IC was less than 5 % of TC (mainly coming from the test item, 12 mg TOC/L).
Since all validity criteria were satisfied the study was considered to be valid.
% Degradation
- Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 11
- Sampling time:
- 28 d
- Remarks on result:
- other: mean of 2 bottles; absolute difference of 10 between two bottles
- Details on results:
- Relative biodegradation values calculated from measurements performed during the test period revealed 6 % and 16 % biodegradation of JNJ-73841937-AAA (T003925) (based on ThCO2). Thus, the criterion for ready biodegradability (at least 60 % biodegradation within a 10-day window) was not met.
In the toxicity control, more than 25 % biodegradation occurred within 14 days (45 %, based on ThCO2). Therefore, the test item was considered not to inhibit microbial activity.
BOD5 / COD results
- Results with reference substance:
- Functioning of the test system was checked by testing the procedural control item sodium acetate, which showed a normal biodegradation curve (93 % within 14 days)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- A 28-d ready biodegradability test (OECD 301B, modified Sturm test) using unadapted activated sludge from a predominantly domestic waste water treatment plant indicated that JNJ-73841937-AAA (T003925) was not readily biodegradable under the conditions of the test (initial concentrations 19 mg/L). The test substance showed only 6% and 16% biodegradation (test bottle A and B, respectively, based on ThCO2). The test substance did not inhibit microbial activity at the concentration used in the test. The results of the test can be considered reliable without restriction.
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