Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
08 May 2017 - 15 September 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report Date:
2018

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
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
- Batch n°: I16EC2452
- Analytical purity: 100.2% (based on assay; calculated on anhydrous basis)
- Expiration date: 22 November 2020 (retest date)
- Storage condition: at room temperature

Study design

Analytical method:
high-performance liquid chromatography
photometric method

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
-0.84
Temp.:
20 °C
pH:
7
Type:
Pow
Partition coefficient:
0.15
Temp.:
20 °C
pH:
7
Details on results:
Calculation method
According to the guidelines, the determination of the Pow of the test item should be performed in its non-ionised form. The pKa values of the test item could not be calculated using the Perrin calculation method. The shake flask method at pH 7 was performed since the test substance is a salt. An n-octanol solubility test was carried out as a preliminary test prior to performance of the shake
flask method.

Preliminary test
The content of test item dissolved in the n-octanol sample was 0.0905 g/L.


Main study
In the blanks, no test item was measured in the aqueous phase.
The analysed concentration of the stock solution was 0.974 g/L. Based on this, the nominal quantity of the test item in the test samples was 1.95 mg. The recoveries were determined according to this value. The log Pow values were within the criterion range of ± 0.3 log units. Based on this, 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 pre-treated sample 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   0.0418  0.282  1.5 x 10 ^ (-1)  1.5 x 10 ^ (-1)     -0.83 7.1
 0.0421  0.290   1.5 x 10 ^ (-1)  -0.84 7.1
 1:2     0.0339  0.235  1.4 x 10 ^ (-1)  1.4 x 10 ^ (-1)     -0.84 7.1
 0.0336  0.236  1.4 x 10 ^ (-1)  -0.85 7.1
 2:1     0.0560  0.375  1.5 x 10 ^ (-1)  1.5 x 10 ^ (-1)  -0.83 7.1
 0.0562  0.391  1.4 x 10 ^ (-1)  -0.84 7.1
 Mean      1.5 x 10 ^(-1)    -0.84  
 Standard deviation      2.7 x 10 ^(-3)      

Recovery was between 100 and 103%.

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-1782820-AAC (T001492).

The Pow value of the test item at 20°C was 1.5 x 10 ^ (-1).

It corresponds with a log Pow value of -0.84.