2-Propenamide, N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]-2-pyrimidinyl]amino]-4-methoxy-2-(4-morpholinyl)phenyl]

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20 Oct 2020 to 01 Dec 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2021

Report date:

2021

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

1998

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Test guideline 3

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2016

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

N-{5-[(4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl)amino]-4-methoxy-2-(morpholin-4-yl)phenyl}prop-2-enamide

EC Number:

841-500-6

Cas Number:

1903008-80-9

Molecular formula:

C30H34N8O3

IUPAC Name:

N-{5-[(4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl)amino]-4-methoxy-2-(morpholin-4-yl)phenyl}prop-2-enamide

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- lot/batch number of test material: M20BD0542
- Expiry date: 19 February 2022 (retest date)
- Physical Description: Slightly greenish yellow powder
- Purity: 99.8%
- Purity correction factor: 1.00

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature

Results and discussion

Water solubility

Key result

Water solubility:

0.096 mg/L

Conc. based on:

test mat.

Remarks:

The water solubility of test item is specified by the saturation mass concentration of the test item in water at a given temperature and is expressed in g/L or equivalent.

Temp.:

20 °C

pH:

> 6.9 - < 7

Details on results:

Preliminary test
The content of test item dissolved in the water sample was 0.296 mg/L.

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

Any other information on results incl. tables

Main study – water solubility of the test item

Flow rate [mL/h]	Sample no.	Concentration analyzed			pH
		Individual [mg/L]	Mean of the concentrations obtained at one flow rate [mg/L]	Mean of the concentrations obtained at both flow rate [mg/L]
24	1	0.102	0.0998	0.0964	6.9
	2	0.111
	3	0.100
	4	0.107
	5	0.107
	6	0.111
	7	0.0893
	8	0.0839
	9	0.106
	10	0.0801
12	1	0.0843	0.0929		7.0
	2	0.0924
	3	0.0917
	4	0.0873
	5	0.0986
	6	0.0942
	7	0.0948
	8	0.0973
	9	0.104
	10	0.0844

Applicant's summary and conclusion

Conclusions:

The column elution method was applied for the determination of the water solubility of JNJ-73841937-AAA (T003925).
The water solubility of the test item at 20°C was 0.0964 mg/L. The pH of the aqueous samples was 6.9 and 7.0.