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EC number: - | CAS number: -
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 11 Jan 2021 to 26 Mar 2021
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- other: EC Guideline A.6. Water Solubility.
- Version / remarks:
- March 04, 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- July 27, 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Version / remarks:
- March 1998
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
Test material
- Reference substance name:
- 4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]-N-[2-methoxy-4-(morpholin-4-yl)-5-nitrophenyl]pyrimidin-2-amine
- Cas Number:
- 1903009-55-1
- Molecular formula:
- C27H30N8O4
- IUPAC Name:
- 4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]-N-[2-methoxy-4-(morpholin-4-yl)-5-nitrophenyl]pyrimidin-2-amine
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Batch (Lot) Number: I19JD2758
- Purity/Composition: 99.0%
- Purity/Composition correction factor: 1.0
- Purity test date : 11 Oct 2019
- Expiry date: 11 October 2021 (retest date)
- Physical Description: Yellow powder
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
Results and discussion
Water solubility
- Key result
- Water solubility:
- 39.3 µg/L
- Conc. based on:
- test mat.
- Remarks:
- The water solubility of a test item is specified by the saturation mass concentration of the test item in water at a given temperature and is expressed in g/L or equivalent.
- Temp.:
- 20 °C
- pH:
- > 6.8 - < 6.9
- Details on results:
- Preliminary Test
The content of test item dissolved in the water sample was 14.4 μg/L.
Main Study
The maximum difference (MD) on the mean values of the samples at 24 and 12 mL/h flow rates was >30% (results are archived in the raw data). Based on this, the flow was halved to 6 mL/h and samples were taken. The results for the samples taken at a flow rate set to 6 and 12 mL/h are given in Table 6.
The coefficient of variation (CV) (n = 10) was ≤ 30% at both flow rates. It demonstrated that the system was equilibrated at all flow rates. The maximum difference (MD) on the mean values of the samples at both flow rates was also ≤ 30%. Based on this, the water solubility of the test item is given as the mean value of these measurements. The turbidity of the eluates was < 0.2 NTU. According to this, no undissolved particles were detected in the eluates.
Small responses at the retention time of the test item were detected in the chromatograms of the pretreated samples from the blank column. It was considered to derive from carry-over in the analytical system since similar responses were found in the analytical blanks. The maximum contribution to the samples was 0.038%. It was considered that it has no significant effect on the results of the test samples.
Any other information on results incl. tables
Main study - water solubility of the test item
Flow rate | Sample no. | Concentration analyzed | pH | ||||
Individual | Mean 2 | CV | Mean 3 | MD |
| ||
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12 1 | 1 | 41.5 | 44.2 | 5.2 | 39.3 | 25 | 6.9 |
| 2 | 41.2 |
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| 3 | 43.0 |
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| 4 | 45.6 |
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| 5 | 43.1 |
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| 6 | 44.0 |
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| 7 | 43.2 |
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| 8 | 48.7 |
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| 9 | 46.2 |
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| 10 | 45.3 |
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6 | 1 | 33.2 | 34.5 | 16 |
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| 6.8 |
| 2 | 35.6 |
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| 3 | 29.2 |
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| 4 | 28.9 |
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| 5 | 34.2 |
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| 6 | 41.1 |
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| 7 | 28.1 |
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| 8 | 39.0 |
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| 9 | 44.8 |
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| 10 | 30.7 |
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1 Result of repeated analysis after redilution.
2 Mean of the concentrations obtained at one flow rate.
3 Mean of the concentrations obtained at both flow rates.
Applicant's summary and conclusion
- Conclusions:
- The column elution method was applied for the determination of the water solubility of JNJ-73848268-AAA (T003903).
The water solubility of the test item at 20°C was 39.3 µg/L.
The pH of the aqueous samples was 6.8 and 6.9.
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