Registration Dossier
Registration Dossier
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EC number: 283-585-7 | CAS number: 84682-23-5
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 03 September - 15 December 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Remarks:
- and the Rekker calculation method (preliminary estimation)
- Specific details on test material used for the study:
- - Batch n°: M14IB5308
- Analytical purity: 99.6%
- Expiration date: 03 February 2016
- Storage condition: at room temperature - Analytical method:
- high-performance liquid chromatography
- photometric method
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.7
- pH:
- 7
- Remarks on result:
- other: T not determined
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.4
- pH:
- 9
- Remarks on result:
- other: T not determined
- Details on results:
- Calculation method
The Pow of the test item was calculated to be 4.4 E+1 (logPow 1.64) using the Rekker calculation method.
Main study at pH 9
The equation of the regression line was log k' = 0.379 log Pow - 1.08 (r=0.990, n=12). The logPow value at pH 9 was 2.4, corresponding to a Pow value of 2.3 E+2.
Main study at neutral pH
The equation of the regression line was log k' = 0.363 log Pow - 0.895 (r=0.993, n=12). The logPow value at neutral pH was 2.7 (see table next section), corresponding to a Pow value of 5.4 E+2. - Conclusions:
- The HPLC method was applied for the determination of the partition coefficient (Pow) of JNJ-16479489-AAA (T001159).
At pH 9, the test item is predicted to be in its non-ionised form.
The logPow value at pH 9 was 2.4, corresponding to a Pow value of 2.3 E+2.
The logPow value at neutral pH was 2.7, corresponding to a Pow value of 5.4 E+2.
Reference
Description of key information
The partition coefficient of T001159 was determined in a GLP study performed according to OECD Guideline 117, EU Method A.8. and EPA OPPTS 830.7570 (K1, Reingruber, 2016) using the HPLC method at pH 7 and pH 9. At pH 9, the test item is predicted to be in its non-ionised form.
The logPow value at pH 9 was 2.4, corresponding to a Pow value of 2.3 E+2.
The logPow value at neutral pH was 2.7, corresponding to a Pow value of 5.4 E+2.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.7
Additional information
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