Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
07 March - 20 June 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 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:
other: wax
Details on test material:
Physical state: wax form
Appearance: clear, viscous, wax
Specific details on test material used for the study:
- Batch n°: I16DB1993
- Analytical purity: 88.4% (technical document DS-TEC-128833)
- Expiration date: 03 October 2017 (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:
2.5
pH:
7
Remarks on result:
other: major component (area 95%)
Remarks:
Column temperature: 35°C +/-1°C
Type:
log Pow
Partition coefficient:
3.2
pH:
7
Remarks on result:
other: area 5.1%
Remarks:
Column temperature: 35°C +/-1°C
Details on results:
Calculation method
The Pow of the test item was calculated to be 4.5E2 (log Pow 2.7) using the Rekker calculation method.
No pKa values for acidic and basic groups in the molecular structure of the test item in the logarithm range of 1 - 14 were calculated.

Main study
The UPLC-UV chromatogram of the test item solution showed one major peak and several small test item peaks. The calibration curve of the log k’ of the reference substances as function of log Pow was: log k’ = 0.335 x log Pow – 0.812 (r = 0.995, n = 16).
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  Area (%)
Formamide (t0) 0.630 0.628 0.629      
 Benzylalcohol 0.819 0.819   1.1    
 Nitrobenzene 1.014 1.010   1.9    
 Toluene 1.623 1.620   2.7    
 1,4 -Dichlorobenzene 2.113 2.107   3.4    
 Biphenyl 2.850 2.847   4.0    
 Dibenzyl 4.772 4.770   4.8    
 Triphenylamine 8.829 8.829   5.7  
 4,4'-DDT 12.844 12.838   6.5    
 Test item - peak 1 (major component) 1.278 1.276  1.277 2.5

 2.9E2

 95
 Test item - peak 2 1.815 1.811  1.813 3.2 1.7E3   5.1

Applicant's summary and conclusion

Conclusions:
The HPLC method at pH 7 was applied for the determination of the partition coefficient (Pow) of JNJ-17337268-AAA (T001597).
The Pow value of the test item was 2.9 x 10^(2) which corresponds to a log Pow value of 2.5 (major component, 95% area).