Registration Dossier
Registration Dossier
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EC number: 421-300-1 | CAS number: 138564-59-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1996-03-27
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1996
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- -
- EC Number:
- 421-300-1
- EC Name:
- -
- Cas Number:
- 138564-59-7
- Molecular formula:
- C12H9N3O2S
- IUPAC Name:
- 5-methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
- Test material form:
- solid: particulate/powder
- Details on test material:
- 97.7%
Item code QA405K
Lilly lot no: 356MO1
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Sponsor and 356M01
- Expiration date of the lot/batch:
- Purity test date:
RADIOLABELLING INFORMATION (if applicable)
- Radiochemical purity:
- Specific activity:
- Locations of the label:
- Expiration date of radiochemical substance:
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
- Stability under test conditions:
- Solubility and stability of the test substance in the solvent/vehicle:
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium:
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing:
- Preliminary purification step (if any):
- Final dilution of a dissolved solid, stock liquid or gel:
- Final preparation of a solid:
FORM AS APPLIED IN THE TEST (if different from that of starting material)
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.2
- Remarks on result:
- other: pH & temp not available on report
- Details on results:
- A plot of log k versus log Pow was constructed from the average retention time values obtained from a mixed standard solution and evaluated by least-squares linear regression analysis. An r squared value of 0.7456 was obtained indicating a high degree of linearity. The resulting best fit line is described by the equation log Pow = 2.3406 log k + 2.9940.. The experimental average value for k for the test substance was 1.204 (log k =0.0807) which provided a calculated log Pow of 3.2 and a Pow of 1585.
Applicant's summary and conclusion
- Conclusions:
- This study validly assessed the octanol/water partition coefficient of the test substance. The log Pow was 3.2.
- Executive summary:
The study was carried out in accordance with EU method A.8 resulting in a log Pow of 3.2 determined.
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