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

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

05 Oct 2020 to 04 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:

EU Method A.4 (Vapour Pressure)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: isothermal thermogravimetry

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

Vapour pressure

Vapour pressure 1

Key result

Temp.:

20 °C

Vapour pressure:

< 0 Pa

Vapour pressure 2

Key result

Temp.:

25 °C

Vapour pressure:

< 0 Pa

Transition / decomposition

Transition / decomposition:

ambiguous

Remarks:

From 190°C a non-linear weight loss was observed. This was most likely due to reaction and/or decomposition of the test item.

Transition temp.:

190 °C

Vapour pressure at 10°C below transition temperature:

0.43 Pa

Vapour pressure at 20°C below transition temperature:

0.18 Pa

Any other information on results incl. tables

Reference substances

Validation of the method is performed at least once every year (Test Facility Reference No. 20263481).

Each reference substance was measured in duplicate by TGA using a temperature program that was specific for the substance. Plots of log v_T obtained at elevated temperatures and 1/T were inter- or extrapolated to determine the log v_T values at 20°C (log v_T,20). The log v_T values were plotted against the logarithm of the vapour pressure at 20°C in Pascal units (log P_{T, 20}). Linear regression analysis using the least squares method yielded an equation of log P_T,20 = 1.17 x log v_T,20 + 4.75. The coefficient of correlation (r) was > 0.99. The constants c and d specific for the experimental arrangement were 1.17 and 4.75, respectively.

 

Results

In the range of 160°C and 180°C a log p versus 1/T curve for the test item could not be determined since the coefficient of correlation (r) was < 0.99 (data is archived in the raw data).
From 190°C a non-linear weight loss was observed. This was most likely due to reaction and/or decomposition of the test item. Since no accurate vapour pressure could be calculated from the obtained results the weight losses of the test item were compared with the results of chrysene at the temperatures of 160°C and 180°C. According to this, the vapour pressure of the test item is given in the table below:

	20°C		25°C
	[Pa]	[mm Hg]	[Pa]	[mm Hg]
Test item	<8.4 x 10^-7	<6.3 x 10^-9	<1.5 x 10^-6	<1.1 x 10^-8

 

 

Applicant's summary and conclusion

Conclusions:

The isothermal TGA effusion method was applied for the determination of the vapour
pressure of JNJ-73841937-AAA (T003925).
The vapour pressure of the test item at 20°C (293K) was <8.4 x 10-7 Pa and at 25°C (298K) was <1.5 x 10-6 Pa