1-(4-METHOXYPHENYL)-4-(4-NITROPHENYL)PIPERAZINE

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:

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:

< 0.001 other: g/100 mL solution

Details on results:

no data

no data

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21 October 2015 - 01 April 2016

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°: I15FB2768
- Analytical purity (acid titration): 100% (base titration)
- Expiration date: 1 July 2017
- Storage condition: at room temperature

Key result

Water solubility:

ca. 0.037 mg/L

Conc. based on:

test mat. (dissolved fraction)

Remarks:

concentration analysed after centrifugation

Loading of aqueous phase:

49.2 other: mg

Incubation duration:

2 h

Temp.:

20 °C

pH:

>= 7.5 - <= 8.2

Details on results:

Preliminary test
The test-item concentration was < 1 mg/L after two, three and four centrifugation steps. The concentration decreased with every centrifugation step. This was verified diluting and analysing the samples again. Such a decrease could be both due to insufficient centrifugation or due to adsorption of the test item to the centrifugation tubes. After filtration no test item was detected. Again, adsorption may have caused this. As all obtained results were clearly < 10^(-2) g/L the column elution method was applicable for the main study.

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 eluates was < 0.2 NTU. According to this, no undissolved particles were detected in the eluates.
No test item was detected in the pre-treated samples from the blank column.

The results for the samples taken at a flow rate of 12 and 24 mL/h are given in the table below.

Flow rate (mL/h)	Mean (n=10) (mg/L)	CV (%)	Mean (mg/L)	Maximum Difference (MD) (%)	pH
24	0.0405	4.7	0.0369	19.6	8.2
12	0.0333	4.4			7.5

Conclusions:

The column elution method was applied for the determination of the water solubility of JNJ-1806792-AAA (T001325).
The water solubility of the test item at 20°C was 0.0369 mg/L.
The pH of the aqueous samples was 7.5 - 8.2.

Description of key information

The water solubility of T001325 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 0.0369 mg/L at 20°C and pH 7.5 -8.2.

Key value for chemical safety assessment

Water solubility:

0.037 mg/L

at the temperature of:

20 °C

Additional information

A study for which the reliability was not assignable (K4, J&J PRD) concluded that the water solubility of T001325 is < 0.001 g/100mL. This study is considered as supporting study.