Registration Dossier

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:
1996
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

Constituent 1
Chemical structure
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:
(S)-2,5-dioxopyrrolidin-1-yl 2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoate

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.