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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:
- 07 JAN 2021 TO 08 SEP 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- November 2019
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- July 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:
- N-[4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]pyrimidin-2-yl]-6-methoxy-4-(morpholin-4-yl)benzene-1,3-diamine
- Cas Number:
- 1903009-56-2
- Molecular formula:
- C27H32N8O2
- IUPAC Name:
- N-[4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]pyrimidin-2-yl]-6-methoxy-4-(morpholin-4-yl)benzene-1,3-diamine
- Test material form:
- solid: particulate/powder
1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Batch (Lot) Number: I20AD0249 and I20ID2980 *
- Purity/Composition: 99.3% (batch I20ID2980)
- Purity/Composition correction factor: 1.0
- Purity test date : 2020-10-26
- Expiry date: 21 January 2022 (retest date) for batch I20AD0249 and 17 September 2022 (retest date) for batch I20ID2980
- Physical Description: Beige powder
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
* Batch I20ID2980 was used from 07 Feb 2022 onwards. Two LC-MS/MS validations and partition coefficient study using HPLC method were performed with using batch I20AD0249. All other studies were performed with batch I20ID2980.
Results and discussion
Water solubility
- Key result
- Water solubility:
- 0.566 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- > 7.6 - < 7.7
- Details on results:
- Preliminary test
The content of test material dissolved in the water sample was 0.993 mg/L.
Main study
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 material 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 material were detected in the chromatograms of the 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 2.5%. It was considered that it has no significant effect on the results of the test samples.
Any other information on results incl. tables
The results for the samples taken at a flow rate set to 12 and 24 mL/h are given in the table below
Main study - water solubility of the test material
Flow rate | Sample no. | Concentration analyzed | pH | ||||
Individual | Mean 1 | CV | Mean 2 | MD |
| ||
|
|
|
|
|
|
|
|
24 | 1 | 0.578 | 0.574 | 8.3 | 0.566 | 2.9 | 7.7 |
| 2 | 0.595 |
|
|
|
|
|
| 3 | 0.598 |
|
|
|
|
|
| 4 | 0.478 |
|
|
|
|
|
| 5 | 0.594 |
|
|
|
|
|
| 6 | 0.601 |
|
|
|
|
|
| 7 | 0.623 |
|
|
|
|
|
| 8 | 0.616 |
|
|
|
|
|
| 9 | 0.553 |
|
|
|
|
|
| 10 | 0.508 |
|
|
|
|
|
|
|
|
|
|
|
|
|
12 | 1 | 0.564 | 0.558 | 4.6 |
|
| 7.6 |
| 2 | 0.590 |
|
|
|
|
|
| 3 | 0.573 |
|
|
|
|
|
| 4 | 0.565 |
|
|
|
|
|
| 5 | 0.556 |
|
|
|
|
|
| 6 | 0.575 |
|
|
|
|
|
| 7 | 0.493 |
|
|
|
|
|
| 8 | 0.554 |
|
|
|
|
|
| 9 | 0.552 |
|
|
|
|
|
| 10 | 0.556 |
|
|
|
|
|
|
|
|
|
|
|
|
|
1 Mean of the concentrations obtained at one flow rate.
2 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-73848281-AAA (T003904).
The water solubility of the test material at 20°C was 0.566 mg/L.
The pH of the aqueous samples was 7.7 and 7.6.
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