D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, 2,3,4,6-tetraacetate, (1S)-

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

23 November 2016 to 17 March 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

column elution method

Specific details on test material used for the study:

- Batch n°: I16CB1581
- Analytical purity: 98.61 %
- Expiration date: 2019-04-04
- Storage condition: at room temperature

Key result

Water solubility:

< 2 µg/L

Conc. based on:

test mat. (dissolved fraction)

Remarks:

concentration analysed after centrifugation

Loading of aqueous phase:

50.9 other: g

Incubation duration:

h

Temp.:

20 °C

pH:

6.7

Remarks on result:

other: The column was loaded with a solution of an absolute test item quantity of 50.9 mg

Details on results:

Column elution method
No test item was detected at either flow rate (12 and 24 mL/hour). The analysed concentrations are therefore reported to be below the lowest calibration standard, multiplied by the dilution factor.

Test item was detected when the loaded column material was analysed. This proved that the column was not depleted when the water solubility samples were taken. The turbidity of the eluates was < 0.2 NTU. According to this, no undissolved particles were detected in the eluates.

No test item was detected in the samples from the blank column.

Conclusions:

The column elution method was applied for the determination of the water solubility of JNJ-39453349-AAA (T003066).
The water solubility of the test item at 20°C was <2.00 µg/L.
The pH of the aqueous samples was 6.7

Reference 2

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:

other: Insufficient documentation for an assessment of reliability.

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:

4.5

Details on results:

no data

Conclusions:

The water solubility of T003066 was determined to be <0.001 g/100mL.

Description of key information

The water solubility of T003066 was determined in a GLP study performed according to the OECD Guideline 105, EU Method A.6 and EPA OPPTS 830.7840 (K1, Reingruber, 2017) and was reported to be <2.00 µg/L at 20°C and pH 6.7.

Additional information

A study for which the reliability was not assignable (K4, J&J PRD) concluded that the water solubility of T003066 is <0.001 g/100mL. This study is considered as supporting study.