Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
01 February 2017 - 13 July 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
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 (incl. certificate)
Type of method:
HPLC 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-559728-AAA (T001250)
- Physical state: solid (powder)
- Appearance: White powder
Specific details on test material used for the study:
- Batch n°: I16DB2043
- Analytical purity: 99% (based on base titration assay)
- Expiration date: 25 April 2020
- Storage condition: 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:
1.9
Temp.:
20 °C
pH:
7
Details on results:
Calculation method
The Pow of the test item was calculated to be 7.4E-1 (log Pow 1.9) using the Rekker calculation method.

Main study
In the chromatogram of the test solution, one test item peak was observed.
The results of the HPLC method show the calibration curve of the log k’ of the reference substances as function of log Pow. The equation of the regression line was: log k’ = 0.366 ´ log Pow – 0.873 (r = 0.993, 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

Substance

tr,1
[min]

tr,2
[min]

mean tr
(n=2)

log Pow

Pow

 

 

 

 

 

 

Formamide (t0)

0.554

0.551

0.553

 

 

 

 

 

 

 

 

Benzylalcohol

0.726

0.727

 

1.1

 

Nitrobenzene

0.899

0.902

 

1.9

 

Toluene

1.444

1.454

 

2.7

 

Bromobenzene

1.881

1.897

 

3.4

 

1,4-Dichlorobenzene

2.546

2.574

 

4.0

 

Biphenyl

2.929

2.960

 

4.2

 

1,2,4-Trichlorobenzene

 

 

 

 

 

 

 

 

 

 

 

Test item

0.910

0.910

0.910

1.9

7.4x101

 

 

 

 

 

 

Applicant's summary and conclusion

Conclusions:
The HPLC method was applied for the determination of the partition coefficient (Pow) of JNJ-559728-AAA (T001250).
The Pow and log Pow value of the test item at pH 7 7.4x10(1). This corresponds to a log Pow value of 1.9