Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 618-844-9 | CAS number: 923604-58-4
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 10 November 2015 - 23 February 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 (incl. QA statement)
- Type of method:
- column elution method
Test material
- Reference substance name:
- (1R,4R,6S,7Z,15R,17R)-17-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.0^{4,6}]octadec-7-ene-4-carboxylic acid
- EC Number:
- 618-844-9
- Cas Number:
- 923604-58-4
- Molecular formula:
- C35H42N4O6S
- IUPAC Name:
- (1R,4R,6S,7Z,15R,17R)-17-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.0^{4,6}]octadec-7-ene-4-carboxylic acid
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Name of test material (as cited in study report): JNJ-38940642-AAA (T003010)
- Physical state: solid
- Appearance: white powder
Constituent 1
- Specific details on test material used for the study:
- - Batch N°: I15AB0298
- Analytical purity: 99.7%
- Expiry date: 22 January 2017
- Storage condition: at room temperature
Results and discussion
Water solubility
- Key result
- Water solubility:
- >= 1 - <= 2 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Remarks:
- concentration analysed after filtration
- Loading of aqueous phase:
- 54.4 other: mg
- Incubation duration:
- ca. 24 h
- Temp.:
- 20 °C
- pH:
- 7.6
- Remarks on result:
- other: Water solubility could not be determined with higher accuracy due to adsorption of test material to filter material.
- Details on results:
- The results for the samples taken at flow rates of 12 mL/h and 24 mL/h are given in the table in the next section.
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 ≤ 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 from test item loaded columns was > 0.2 NTU. According to this, undissolved particles were detected in the eluates. The turbidity of the eluates from the blank column was < 0.2 NTU. Undissolved material from the eluates from test item loaded columns was obviously linked to the test item. It was therefore decided to filter the eluate. Checking the filtration method a decrease of 38% was observed comparing the concentration of the twice-filtered sample to what was found after one filtration. Such a decrease could have been due to adsorption of the test item to the filter material. In order to acknowledge possible underestimation of the mean water solubility due to adsorption to the filter material, the recovery after filtration is taken into account and the water solubility is reported as 1 – 2 mg/L.
Any other information on results incl. tables
The results for the samples taken at flow rates of 12 mL/h and 24 mL/h are given in the table underneath.
| Flow rate (mL/h) | Sanple no. |
Analysed concentration |
pH | |||||
Individual (mg/L) |
Mean (mg/L) | Coefficient of Variation (CV) (%) |
Mean of concentrations obtained at both flow rates | Maximum Difference (MD) (%) | ||||
| 24 | 1 2 3 4 5 6 7 8 9 10 |
1.56* 0.982 1.13 1.25 1.04 1.16 1.08 1.05 1.25 1.21 |
1.17 | 14 | 1.18 | 2.3 | 7.6 | |
| 12 | 1 2 3 4 5 |
0.698 1.47 1.35 1.34 1.13 |
1.20 | 25 | 7.6 | |||
*This sample was used checking the filtration procedure. After an additional filtration step, a concentration of 1.05 mg/L was observed. This corresponded to a decrease of 38%.
Applicant's summary and conclusion
- Conclusions:
- The column elution method was applied for the determination of the water solubility of JNJ-38940642-AAA (T003010).
The water solubility of the test item at 20°C was 1-2 mg/L. Adsorption to filter material prohibited a determination with higher accuracy.
The pH of the aqueous samples was 7.6.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
