Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
29 June 2016 - 29 November 2016
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:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid
Details on test material:
- Name of test material (as cited in study reports): JNJ-7928531-AAA (T001481)
- Physical state: liquid
- Appearance: Colourless, light yellow to brown liquid
Specific details on test material used for the study:
- Batch n°: M16AB0419
- Expiration date: 23 September 2016
- Purity: 102.5% (based on GC assay)
- Storage condition of test material: at room temperature

Study design

Analytical method:
high-performance liquid chromatography
photometric method

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
2.4
pH:
7
Remarks on result:
other: Column temperature was 35°C ± 1°C
Details on results:
Calculation method
The Pow of the test item was calculated to be 4.8E+2 (log Pow 2.7) using the Rekker calculation method.
No pKa values in the logarithm range of 0 - 14 for acidic and basic groups in the molecular structure the test item were calculated using the Perrin calculation method.

Main study
In the chromatogram of the test solution, one test item peak was observed. The equation of the regression line was: log k’ = 0.464 × log Pow – 0.679 (r = 0.998, n = 12). Detailed results are given in the table in the field 'Any other information on results incl. tables'.

Any other information on results incl. tables

Pow of the test item

 Substance  tr,1 [min]  tr,2 [min]  mean tr (n=2)  log Pow  Pow
 Formamide (t0)  0.601  0.600  0.601    
 2-Butanone  0.783  0.759    0.3  
 Nitrobenzene  1.481  1.468    1.9  
 Toluene  3.285  3.256    2.7  
 1,4-Dichlorobenzene  5.530  5.484    3.4  
 Biphenyl  9.677  9.585    4.0  
 1,2,4-Trichlorobenzene  10.798  10.700    4.2  
 Test item  2.280  2.294  2.287  2.4  2.7 × 10²

Applicant's summary and conclusion

Conclusions:
The HPLC method was applied for the determination of the partition coefficient (Pow) of JNJ-7928531-AAA (T001481). At pH 7, the test item is predicted to be in its non-ionised form.
The Pow value of the test item at 20°C was 2.7 x 10^(2). This corresponds to a log Pow value of 2.4.