methyl {4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}carbamate compd with dimethylsulfoxide

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2019-08-08 to 2019-09-10

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: OECD and EU guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

GLP compliance:

no

Type of method:

effusion method: by loss of weight or by trapping vaporisate

Test material

Test material information

Constituent 1

Reference substance name:

methyl {4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}carbamate compd with dimethylsulfoxide

EC Number:

818-416-3

Cas Number:

1438425-69-4

Molecular formula:

C19H16F2N8O2*2C2H6OS

IUPAC Name:

methyl {4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}carbamate compd with dimethylsulfoxide

Test material form:

solid

Specific details on test material used for the study:

Name of the Test item: BAY 1021189 crude
Synonyme: Vericiguat crude; BAY 1021189 roh (DMSO-Solvat)
Batch-No.: FEY-7882-177-6
CAS-No.: 1438425-69-4
Purity: 72.5 %
Molecular Formula / Weight: C19H16F2N8O2 / 426.4 g/mol
Certificate of Analysis Date: 2019-06-03
Physical State at Room Temperature: Solid
Colour: Light brown
Storage conditions at test facility: At 20 °C ± 5 °C in the dark.

Results and discussion

Vapour pressure

Key result

Test no.:

#1

Temp.:

20 °C

Vapour pressure:

<= 1 111 Pa

Remarks on result:

other: The value resulting is XXXXX Pa. This value is expected to be overestimated because the v. p. of molten material is higher than the v. p. of solid material. Therefore the v. p. is reported to be <= 0.0000678 Pa =<= 0.000000508 mm Hg at 20°C (293K).

Applicant's summary and conclusion

Conclusions:

The isothermal thermogravimetrical effusion method was applied for the determination of the vapour pressure of BAY 1021189 crude.
The vapour pressure of the test item was determined to be 2.51 -07 Pa at 20 °C.

Executive summary:

 

This study was designed to comply with the following methods:
− European Community (EC), EC No. 761/2009, A.4: “Vapour Pressure”, 2009
− Organisation for Economic Co-operation and Development (OECD), OECD Guidelines for the Testing of Chemicals No. 104: “Vapour Pressure”, 2006

The isothermal thermogravimetrical effusion method was applied for the determination of the vapour pressure of BAY 1021189 crude.
The vapour pressure of the test item was determined to be 2.51 -07 Pa at 20 °C.

This study is classified acceptable and satisfies the guideline requirements for vapour pressure studies.