4-[(6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

no data

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Reason / purpose for cross-reference:

reference to other study

Qualifier:

no guideline available

Principles of method if other than guideline:

An excess of product is shaked with solvent during 24 hours at 20 deg C. After filtration the concentration in solution is determined with UV spectrometry.

GLP compliance:

not specified

Type of method:

other: no data

Water solubility:

< 0.001 other: g/100 mL solution

Temp.:

20 °C

pH:

6.8

Details on results:

no data

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08 - 23 May 2003

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Remarks:

The testing facility indicated that the protocol was followed without deviation.

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Remarks:

The testing facility indicated that the protocol was followed without deviation.

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Specific details on test material used for the study:

- Batch n°: 00403487
- Analytical purity: > 98%
- Expiration date: 31 December 2003
- Storage condition: at room temperature

Key result

Water solubility:

< 0.5 mg/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

20 °C

pH:

>= 6.22 - <= 7.31

Details on results:

The water solubility of T002615 at 20 deg C was determined to be < 0.5 mg/L.

During the main test six samples have been analysed in the first run (0.52 mL/min) and six samples during the second run (0.26 mL/min), each with a sampling interval of one hour. Total elution time was 95 h.the quantification was performed by HPLC. The measured results differ by less than 30%. Therefore the study is considered to be valid. The test item could not be detected in any of the elute samples.

Conclusions:

The water solubility of T002615 at 20 deg C was determined to be below the limit of quantification which is 0.5 mg/L, using the column elution method.

Description of key information

The water solubility of T002615 was determined in a GLP study performed according to the OECD Guideline 105 and EU Method A.6 (Klimisch 1, Tognucci, 2003) using the column elution method and was determined to be < 0.5 mg/L at 20°C and pH 6.22 - 7.31.

Additional information

A supporting study (J&J PRD, 2003) with insufficient documentation, and therefore assigned as Klimisch 4 study, concluded that the water solubility of T002615 is < 0.001 g/100 mL at 20°C at pH 8, which is in line with the result of the key study by Tognucci (2003).