Registration Dossier
Registration Dossier
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EC number: 424-660-8 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 July – 03 October, 1996
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: done under GLP and OECD method
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1997
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- Paris 1989
- Deviations:
- yes
- Remarks:
- methanol-water
- Qualifier:
- according to guideline
- Guideline:
- other: OJEC L383 A/63-70
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Remarks:
- Reverse phase, UV detection at 205nm, duplicate injections.
- Partition coefficient type:
- other: Methanol-Water
Test material
- Reference substance name:
- -
- EC Number:
- 424-660-8
- EC Name:
- -
- Cas Number:
- 224631-15-6
- Molecular formula:
- Hill formula: C18H26N4O5S CAS formula: C18H26N4O5S
- IUPAC Name:
- 2,5-dioxopyrrolidin-1-yl (2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanoate
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. 3.5
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not provided
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient has been determined to be log Pow 3.5
- Executive summary:
The mean retention time for A-133816 was ca9.7min. The log
Pow for the known hydrolysis product of the test material -
2,4-Wing Acid - was also estimated using the HPLC method.
2,4-Wing Acid chromatographed with a mean retention time of
ca2.7min - ie, was unretained under the chromatographic
conditions used. Hence, the log Pow for 2,4-Wing Acid was
estimated to be <1.
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