Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
06 August - 06 September 2001
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2002
Report Date:
2002

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:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask 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-16169374-AAC (T002113)
- Physical state: solid (powder)
- Appearance: off-white powder
Specific details on test material used for the study:
- Batch n°: RT002113G3A231
- Analytical purity: 92.9%
- Expiration date: 01 December 2001
- Storage condition: at room temperature

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
-1.2
pH:
>= 3.7 - <= 3.9
Remarks on result:
other: T not determined

Any other information on results incl. tables

Data of the performance of the log Pow flask shaking test

 Sample no.  Volume of the n-octanol phase (mL)  Volume of the aqueous phase (mL)  Amount of test item added (mg)
 1 15  30  35.9 
 2 15  30  36.0 
 3 22.5  22.5 

27.0 

 4 22.5  22.5  27.0 
 5 30  15  18.0 
 6 30  15  18.0 

Calculation of the log Pow

  sample no.    Concentration of the test item found     pH of the aqueous phase     Pow     log Pow   
 n-octanol phase (µg/mL)  aqueous phase (µg/mL)
1 108.3   1143.8  3.9  0.095  -1.02
 2  108.0  1144.8  3.9  0.094  -1.03
 3  72.2  1123.4  3.8  0.064  -1.19
 4  72.3  1123.4  3.8  0.064  -1.19
 5  55.2  1066.2  3.7 0.052  -1.29
 6  56.2  1066.4  3.7 0.053  -1.28
 mean value (rounded) =  0.070 -1.2 
 standard deviation    = +/-       0.019  0.117 

Applicant's summary and conclusion

Conclusions:
The partition coefficient of T002113 was determined to be log Pow -1.2 using the flask shaking method.