Reaction product of {Sulfonic acid derivatives of [4-(aminoalkylamino)-6-substituted-1,3,5-triazin-2-ylamino]benzene}, ammonia water, sodium chloride and [poly(1~4)chlorosulfonyl(poly(1~4) benzo-poly(3~0)pyrido-5,10,15,20-tetraazaporphyrinato- N21,N22,N23,N24)]copper(II)

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Phys chem testing was conducted between 10 March 2011 and 12 April 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Details on test material:

Identification: TM10-099
Description: dark blue powder
Batch number: MB-1
Date received: 4 March 2011
Expiry date: 4 March 2012
Storage conditions: room temperature in the dark

Study design

Analytical method:

other: spectrophotometry

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

< -3.48

Temp.:

21.2 °C

Remarks on result:

other: pH of n-octanol saturated water: 6.9. pH of stock solution: 7.0

Details on results:

The ultraviolet/visible spectra obtained from the organic phase sample analysis demonstrated that the absorbance at the specified wavelength was most likely due to baseline drift and not due to the presence of test item. The limit of quantification (LOQ) was assessed as the concentration of the lowest calibration standard (1.02 mg/L). The partition coefficient has been calculated using the LOQ for the organic phase and the overall result reported as a limit value.
The spectra of the aqueous and organic phase samples differed slightly resulting in a difference of wavelength selected for each analysis. This was most likely due to solvent matrix effects.

It is evident from the information obtained in the hydrolysis test and data relating to the pH of the test item in water that negligible hydrolysis of the sample solutions occurred during the course of the partition coefficient test.

As the test item was noted to contain numerous salted acid groups, testing was carried out at approximately neutral pH, with the test item in its ionised state.

Any other information on results incl. tables

Validation

The linearity of the detector response with respect to concentration was assessed over the concentration ranges of 10.2 to 51.0 mgll for the aqueous phase analysis and 0.545 to 10.9 mg/L for the organic phase analysis. These were satisfactory with correlation

coefficients of 0.999 and 1.000 being obtained for the aqueous and organic phase analyses respectively.

Applicant's summary and conclusion

Conclusions:

The partition coefficient of the test item has been determined to be less than 3.30E-04 at 21.2 ± 0.5 °C, log10 Pow <-3.48.

Executive summary:

The partition coefficient of the test item TM10-099 was determined in a valid GLP study using the shake-flask method, designed to be compatible with OECD TG No 107 and EU Method A.8.

The method guideline states that the measurement of partition coefficient should be carried out on substances in their unionised form. However, since the test item contained numerous numerous salted acid groups, testing was carried out at approximately neutral pH with the test item in an ionised form.

The partition coefficient of the test item has been determined to be less than 3.30 x10^-4 at 21.2 ± 0.5 °C at approximately neutral pH,

log₁₀ Pow <-3.48.