Formamide, N-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-

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:

2017-01-12 to 2017-04-25

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 (incl. QA statement)

Type of method:

column elution method

Specific details on test material used for the study:

- Batch n°: I15EB1917
- Analytical purity: 98.9%
- Expiration date: 2017-09-07
- Storage condition: at room temperature

Key result

Water solubility:

3.41 mg/L

Conc. based on:

test mat. (dissolved fraction)

Remarks:

concentration analysed after centrifugation

Temp.:

20 °C

pH:

>= 7.6 - <= 8

Details on results:

Preliminary test
The content of test item dissolved in the water sample was 5.54 mg/L.

Main test
The results for the samples taken at a flow rate of 12 and 24 mL/h are given in the table in the next section.
The coefficient of variation (CV) (n = 10) was ≤ 30% at both flow rates. It demonstrated that the system was equilibrated at all flow rates.
The maximum difference (MD) on the mean values of the samples at both flow rates was also <= 30%.
Based on this, the water solubility of the test item is given as the mean value of these measurements.
The turbidity of the relevant 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.

Flow rate [mL/h]	Mean concentration [mg/L]^1	Coefficient of variation (CV) [%]	Mean concentration [mg/L]^2	Maximum Difference (MD) [%]	pH
24	3.47	4.7	3.41	3.8	8.0
12	3.34	1.2			7.6

1: Mean of the concentrations obtained at one flow rate.

2: Mean of the concentrations obtained at both flow rates.

Conclusions:

The column elution method was applied for the determination of the water solubility of JNJ-28645409-AAA (T002078).
The water solubility of the test item at 20°C was 3.41 mg/L.
The pH of the aqueous samples was 7.6 and 8.0.

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.

Reason / purpose for cross-reference:

reference to same study

Principles of method if other than guideline:

no data

GLP compliance:

not specified

Type of method:

other: no data

Water solubility:

10 mg/L

Temp.:

20 °C

pH:

8

Conclusions:

The water solubility of the test substance was determined to be 10 mg/L at 20°C.

Description of key information

The water solubility of T002078 was determined in a GLP study performed according to the OECD Guideline 105, EU Method A.6 and EPA OPPTS 830.7840 (Klimisch 1, Brekelmans, 2017) using the column elution method and was determined to be 3.41 mg/L at 20°C and pH 7.6 - 8.0.

Key value for chemical safety assessment

Water solubility:

3.41 mg/L

at the temperature of:

20 °C

Additional information

A supporting study (J&J PRD) with insufficient documentation, and therefore assigned as Klimisch 4 study, concluded that the water solubility of T002078 is 10 mg/L at 20°C.