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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 December 2016 - 07 July 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
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
Specific details on test material used for the study:
- Batch n°: M16FB2273
- Analytical purity: 101.7%
- Expiration date: 12 September 2017
- Storage condition: at room temperature
Analytical method:
high-performance liquid chromatography
photometric method
Key result
Type:
log Pow
Partition coefficient:
> 7.2
pH:
7
Remarks on result:
other: The temperature of the reference substances was not reported but assumed room temperature
Details on results:
Calculation method
The Pow of the test item was calculated to be be 4.7 x 1E6 (log Pow 6.7) using the Rekker calculation method.

Main study: HPLC Method
In the chromatogram of the test item solution, one peak with a retention time of 27.2 minutes was observed.
Under the same analytical conditions, the retention time of 4,4’-DDT (log Pow = 6.5) was 11.811 minutes. Hence, it was concluded that the log Pow of test item was > 6.5 (Pow > 3.2 E6).
Under the same analytical conditions, the retention time of benzo[ghi]perylene (log Pow = 7.2) was 18.631 minutes. Hence, it was concluded that the log Pow of test item was > 7.2 (Pow > 1.6 E7).

Conclusions:
The HPLC method at pH 7 was applied for the determination of the partition coefficient (Pow) of JNJ-42808389-AAA (T003421).

The Pow value of the test item at neutral pH was >1.6E7. This corresponds to a log Pow value of > 7.2

Description of key information

The partition coefficient of T003421 was determined in a GLP study performed according to OECD Guideline 117, EU Method A.24. and EPA OPPTS 830.7570 (K1, Ciric, 2017).

The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow). The Pow value of the test item at neutral pH was >1.6 E7. This corresponds to a log Pow value of > 7.2 .

Key value for chemical safety assessment

Log Kow (Log Pow):
7.2
at the temperature of:
20 °C

Additional information