Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
08 July - 28 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 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:
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-1580774-AAA (T000835)
- Physical state: solid powder
- Appearance: slight beige
Specific details on test material used for the study:
- Batch n°: I16BB1136
- Analytical purity: 99.3% (acid titration)
- Expiration date: 02 March 2017
- 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:
2.8
Temp.:
20 °C
pH:
2
Key result
Type:
log Pow
Partition coefficient:
2.7
Temp.:
20 °C
pH:
7
Details on results:
Calculation method
The Pow of the test item was calculated to be 5.4 x 10³ (log Pow 3.7) using the Rekker calculation method.

Main study: HPLC method
pH 2 (unionised form)
The log Pow and Pow of the test item were found to be 2.8 and 6.4 x 10² respectively. The equation of the regression line was:  log k’ = 0.472 x log Pow – 0.705 (r = 0.99, n = 12).

pH 7 (ionised form)
The log Pow and Pow of the test item were found to be 2.7 and 5.6 x 10² respectively. The equation of the regression line was: log k’ = 0.472 x log Pow – 0.685 (r = 0.997, n = 12).

Any other information on results incl. tables

Test item

pH 2

pH 7
Pow

log Pow

Area % Pow log Pow Area %
6.4 x 10² 2.8 93 5.6 x 10² 2.7 92

Applicant's summary and conclusion

Conclusions:
The HPLC method was applied for the determination of the partition coefficient (Pow) of JNJ-1580774AAA (T000835). The Pow and log Pow values of the test item at pH 2 (unionised form) were 6.4 x 10² and 2.8 and at pH 7 (ionised form) were 5.6 x 10² and 2.7 respectively.