Registration Dossier

Administrative data

Endpoint:
partition coefficient
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:
2016
Report Date:
2016

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
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
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

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
> 4.1
Temp.:
20 °C
pH:
7.1
Details on results:
Preliminary test
The content of test item dissolved in the n-octanol sample was 3.10 g/L.

Main study
The analysed concentration of the stock solution was 0.0942 g/L. Based on this, the nominal quantity of the test item in the test samples was 0.188 mg. The recoveries were determined according to this value.
Only small responses were determined in the aqueous phases. As their peak areas were significantly smaller than those of the lowest calibration standard, their concentration is reported accordingly.
The criterion range of ± 0.3 log units for the log Pow was not applicable, as the concentrations of the aqueous phases were determined to be smaller than the lowest calibration standard. The Pow and log Pow of the test item is given as the mean value of all measurements. No test item was detected in the pretreated samples from the blank mixture. Detailed results are given in the table in the field 'Any other information on results incl. tables'.

Any other information on results incl. tables

 Ratio n-octanol:water (v:v)   Analysed concentration
 n-octanol (g/L)  water (g/L)
 Pow Pow (mean)  log Pow     pH     
 1:1  0.0319  < 3.0 E-6   > 1.1 E4  > 1.1 E4   > 4.0   7.1
 1:1  0.0329   < 3.0 E-6   > 1.1 E4     > 4.0   7.1
 1:2  0.0499   < 3.0 E-6   > 1.7 E4  > 1.6 E4   > 4.2   7.1 
 1:2  0.0490   < 3.0 E-6   > 1.6 E4     > 4.2   7.1
 2:1  0.0243   < 3.0 E-6   > 8.1 E3  > 8.0 E3   > 3.9   7.1
 2:1  0.0237   < 3.0 E-6   > 7.9 E3     > 3.9   7.1
 Mean       > 1.2 E4     > 4.1  

Recovery was between 101 and 106%.

Applicant's summary and conclusion

Conclusions:
The shake flask method at pH 7 was applied for the determination of the partition coefficient (Pow) of JNJ-38940642-AAA (T003010).

The Pow value of the test item at 20°C was > 1.2 x 10^(4). This corresponds to a log Pow value of > 4.1.