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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
26 February 2013 - 28 March 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study has been performed in accordance with the EC A.8 and OECD 107 guidelines and complied with the principles of GLP.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(2008)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
(1995)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
(1996)
Deviations:
no
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
3-aminopyrazine-2-carboxylic acid
EC Number:
226-558-7
EC Name:
3-aminopyrazine-2-carboxylic acid
Cas Number:
5424-01-1
Molecular formula:
C5H5N3O2
IUPAC Name:
3-aminopyrazine-2-carboxylic acid
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
- Name of test material (as cited in study report): Amiloride Compound 5
- Description: Tan powder
- Storage condition of test material: In refrigerator (2-8°C) protected from light, desiccated
- Other: Reactive to light, moisture and oxygen

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
<= -3.1
Temp.:
20 °C
pH:
7
Type:
Pow
Partition coefficient:
<= 0.001
Temp.:
20 °C
pH:
7
Details on results:
The obtained log Pow values fell outside the criterion range of ± 0.3 log units (see table below) due to low concentration in the n-octanol phase but all log Pow values were ≤ -3.1. Based on this, log Pow was reported to be ≤ -3.1.

Any other information on results incl. tables

Results Shake flask method

 

Ratio

n-octanol : water

[v:v]

Analysed concentration

Pow

log Pow

 

 

pH

 

 

n-octanol

[g/l]

Water

[g/l]

Individual

 

Mean

 

 

 

 

 

 

 

 

1:1

1.49E-04

2.27E-01

6.6E-04

3.6E-04

-3.2

6.9

 

1.53E-05

2.19E-01

7.0E-05

 

-4.2

6.9

 

 

 

 

 

 

 

1:2

1.71E-05

1.61E-01

1.1E-04

1.6E-04

-4.0

6.9

 

3.56E-05

1.62E-01

2.2E-04

 

-3.7

6.9

 

 

 

 

 

 

 

2:1

2.66E-04

3.25E-01

8.2E-04

8.4E-04

-3.1

6.8

 

2.81E-04

3.26E-01

8.6E-04

 

-3.1

6.7

 

No test substance was detected in the pretreated samples from the blank mixture.

 

Applicant's summary and conclusion

Conclusions:
The log Pow of Amiloride Compound 5 at pH 7 and 20°C was determined to be ≤ -3.1 (Pow ≤ 7.94E-04) using the shake flask method (GLP-compliant study in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550).