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EC number: 922-147-8 | CAS number: -
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 15 March - 25 April 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
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
- Type of method:
- column elution method
Test material
- Reference substance name:
- methyl (1R,2R,4S)-2-[(hex-5-en-1-yl)(methyl)carbamoyl]-4-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)cyclopentane-1-carboxylate
- EC Number:
- 922-147-8
- Cas Number:
- 1042695-87-3
- Molecular formula:
- C32H41N3O5S
- IUPAC Name:
- methyl (1R,2R,4S)-2-[(hex-5-en-1-yl)(methyl)carbamoyl]-4-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)cyclopentane-1-carboxylate
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Name of test material (as cited in study reports): JNJ-39125593-AAA (T003019)
- Physical state: solid
- Appearance: white powder
Constituent 1
- Specific details on test material used for the study:
- - Batch n°: M15FB2925
- Analytical purity: 99.5%
- Expiration date: 31 May 2017
- Storage condition: at room temperature protected from light
Results and discussion
Water solubility
- Key result
- Water solubility:
- < 1 µg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 20 °C
- pH:
- >= 6.9 - <= 8.1
- Details on results:
- Preliminary test
The amount of test item in the first preliminary test, after a first centrifugation step, was 0.073 μg/L. This concentration was calculated by extrapolation of the curve. After a second centrifugation step a small signal was observed but no quantification was possible. The content of test item dissolved in the water sample in the second preliminary test was 0.146 μg/L after the first centrifugation step and 0.0029 μg/L after the second centrifugation step. The latter concentration was calculated by extrapolation of the curve. After the third centrifugation step again a small signal was observed for the test item, but no quantification was possible.
Main test
The results for the samples taken at a flow rate of 12 and 24 mL/h determined during three consecutive days are given in the table in the next section.
The coefficient of variation (CV) (n = 10) was ≤ 30% at all 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 the two flow rates was > 30%. Since at all flow rates still a decreasing concentration was observed, the water solubility is given at <1 μg/L.
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 from the blank column.
Any other information on results incl. tables
The results for the samples taken at a flow rate of 12 and 24 mL/h determined during three consecutive days are given in the table below.
First day:
| Flow rate (mL/h) | Mean (n=10) (µg/L) | CV (%) | Mean (µg/L) | Maximum Difference (MD) (%) | pH |
| 24 | 2.79 | 3.7 | 2.42 | 31 | 7.4 |
| 12 | 2.05 | 8.6 | 8.1 |
Second day:
| Flow rate (mL/h) | Mean (n=10) (µg/L) | CV (%) | Mean (µg/L) | Maximum Difference (MD) (%) | pH |
| 24 | 1.64 | 5.4 | 1.29 | 54 | 7.1 |
| 12 | 0.945 | 11 | 7.1 |
Third day:
| Flow rate (mL/h) | Mean (n=10) (µg/L) | CV (%) | Mean (µg/L) | Maximum Difference (MD) (%) | pH |
| 24 | 1.22 | 12 | 0.977 | 50 | 6.9 |
| 12 | 0.733 | 19 | 6.9 |
Applicant's summary and conclusion
- Conclusions:
- The column elution method was applied for the determination of the water solubility of JNJ-39125593-AAA (T003019).
The water solubility of the test item at 20°C was determined to be <1 μg/L.
The pH of the aqueous samples was 6.9 – 8.1.
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