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EC number: 821-180-4 | CAS number: 1417421-99-8
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 29 January - 22 March 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
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:
- - Batch n°: I16FD3006
- Analytical purity: 100.1%
- Expiration date: 16 June 2018
- Storage condition: at room temperature
Results and discussion
Water solubility
- Key result
- Water solubility:
- 0.087 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Loading of aqueous phase:
- 50.3 other: mg
- Incubation duration:
- ca. 12 h
- Temp.:
- 20 °C
- pH:
- >= 6.4 - <= 6.6
- Details on results:
- Preliminary test
The content of test item dissolved in the water sample was 0.0318 mg/L after 1 centrifugation step and 0.0222 mg/L after two centrifugation steps. Therefore, the centrifugation method might not been sufficient to remove all undissolved test item. However, this was considered acceptable as the column elution method was used in the main study.
Main test
The mean analysed concentration was 0.0859 mg/L and 0.0875 mg/L at flow rate 24 mL/h and at flow rate 12 mL/h, respectively. The coefficient of variation (n=10) was <= 30% at both flow rates which shows that the system was equilibrated at both flow rates. The maximum difference on the mean values of the samles at both flow rates was also <= 30%. Based on this, the water solubility of the test item is given as the mean value of the measurements.
The turbidity of the eluates was <0.2 NTU. According to this, no undissolved particles were detected in the eluates. No test item was detected in the samples taken from the blank column.
Applicant's summary and conclusion
- Conclusions:
- The column elution method was applied for the determination of the water solubility of JNJ-63757031-AAA (T003685).
The water solubility of the test item at 20°C was 0.0867 mg/L.
The pH of the aqueous samples was 6.4 – 6.6.
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