Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30 January 2018 - 20 April 2018
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 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
other: EU method A.24 (Partition coefficient - HPLC method)
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
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Details on test material:
Physical state: solid
Appearance: White powder
Specific details on test material used for the study:
- Batch n°: I16DD2146
- Analytical purity: 99.7% (based on GC assay)
- Expiration date: 27 April 2018 (retest date)

Study design

Analytical method:
high-performance liquid chromatography
photometric method

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 3.6
Temp.:
20 °C
pH:
7
Details on results:
Calculation method
The Pow of the test item was calculated to be 1.8 E4 (log Pow 4.3) using the Rekker calculation method.
No pKa values for acidic and basic groups in the molecular structure of the test item in the log range of 1-14 were calculated.

Main study: HPLC method
In the chromatogram of the test solution, one test item peak was observed. The equation of the calibration curve of the log k' of the reference substances as function of log Pow was determined to be: log k'=0.342 x logPow-0.863 (r=0.995, n=18).

Any other information on results incl. tables

Substance   tr,1 (min)  tr,2 (min)  mean tr (n=2)  log Pow  Pow
2 -Butanone 0.668 0.667 0.3  
 Benzylalcohol 0.743 0.739   1.1  
 Nitrobenzene 0.916 0.912   1.9  
 Toluene 1.457 1.451   2.7  
 1,4 -Dichlorobenzene 1.888 1.880   3.4  
 Biphenyl 2.534 2.522   4.0  
 Dibenzyl 4.222 4.201   4.8  
 Triphenylamine 7.736 7.693   5.7
 4,4'-DDT 11.261 11.194   6.5  
 Test item - test item peak 1.880 1.878  1.879 3.6  3.6E3

The average retention time of the unretained (blank) compound formamide was 0.578 min (t0).

Applicant's summary and conclusion

Conclusions:
The HPLC method at pH 7 was applied for the determination of the partition coefficient (Pow) of JNJ-63757083-AAA (T003688).

The Pow value of the test item at 20°C was 3.6 x 10^(3). This corresponds to a log Pow value of 3.6.