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Diss Factsheets

Administrative data

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30 AUG 2022 TO 05 OCT 2022
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Cross-reference
Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30 AUG 2022 TO 05 OCT 2022
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Version / remarks:
November 2019
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Version / remarks:
July 1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
Version / remarks:
March 1998
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- lot/batch number of test material: 22BN0551
- Expiry date: 28 April 2023 (retest date)
- Physical Description: Off-white powder
- Purity: 98.3%
- Purity correction factor: no correction factor required
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Final preparation of a solid: not applicable, the solid test item was transferred directly into the DSC cell
Key result
Melting / freezing pt.:
133.4 °C
Atm. press.:
1 atm
Decomposition:
yes
Decomp. temp.:
225 °C

Preliminary test


From the TGA curve it could be derived that starting at at 225°C, the weight of the sample decreased significantly. At 289°C, the sample weight had decreased by 25%. After the experiment, a dark brown molten residue remained in the sample container (original colour: off-white). The change of the colour indicated reaction and/or decomposition of the test material.


Many study


From the DSC curce obtained with Experiment 1, an endothermic effect was observed between 125°C and 150°C. The extrapolated onset temperature of the effect was 133.453°C. The endothermic effect was most likely obtained due to melting of the test material. Starting from 225°C, an exothermic effect was observed. It was most likely due to reaction and/or decomposition of the test material. After the experiment, a dark brown molten residue remained in the sample container (original colour: off-white).


In order to investigate the endothermic effect, Experiment 2 was stopped directly after the melting effect. During Experiment 2 a technical error in the equipment occurred. Therefore, the results of Experiment 2 were discarded.


Experiment 3 was performed to investigate the endothermic effect found in Experiment 1 and was directly stopped after the melting effect. From the DSC curve obtained, the extrapolated onset temperature was 133.426°C. After the experiment, a molten off-white residue remained in the sample container (original colour: off-white). It demonstrated that melting was the reason for the endothermic effect.


The melting temperature was determined as the mean melting temperature of Experiment 1 (133.453°C) and Experiment 3 (133.426°C).

Conclusions:
The melting temperature of JNJ-63632283-AAA (T003665) was tested by DSC.
The melting temperature of the test material was 133.4°C.
Reaction and/or decomposition of the test material was observed during DSC experiment starting at 225°C.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2022
Report date:
2022

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Version / remarks:
November 2019
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Version / remarks:
July 1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
Version / remarks:
August 1996
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
1-amino-N-[6-cyano-5-(trifluoromethyl)-3- pyridyl]cyclobutanecarboxamide
Cas Number:
1950587-17-3
Molecular formula:
C12H11F3N4O
IUPAC Name:
1-amino-N-[6-cyano-5-(trifluoromethyl)-3- pyridyl]cyclobutanecarboxamide
Test material form:
solid: particulate/powder
Details on test material:
- Name of test material: JNJ-63632283-AAA (T003665)
- Physical state: solid (powder)
- Appearance: white powder
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- lot/batch number of test material: 22BN0551
- Expiry date: 28 April 2023 (retest date)
- Physical Description: Off-white powder
- Purity: 98.3%
- Purity correction factor: no correction factor required
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Final preparation of a solid: not applicable, the solid test item was transferred directly into the DSC cell

Results and discussion

Boiling point
Key result
Atm. press.:
1 atm
Decomposition:
yes
Decomp. temp.:
225 °C
Remarks on result:
other: Boiling of the test material was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test material has no boiling temperature.

Any other information on results incl. tables

Preliminary test


From the TGA curve it could be derived that starting at at 225°C, the weight of the sample decreased significantly. At 289°C, the sample weight had decreased by 25%. After the experiment, a dark brown molten residue remained in the sample container (original colour: off-white). The change of the colour indicated reaction and/or decomposition of the test material.


Many study


From the DSC curce obtained with Experiment 1, an endothermic effect was observed between 125°C and 150°C. The extrapolated onset temperature of the effect was 133.453°C. The endothermic effect was most likely obtained due to melting of the test material. Starting from 225°C, an exothermic effect was observed. It was most likely due to reaction and/or decomposition of the test material. After the experiment, a dark brown molten residue remained in the sample container (original colour: off-white).


In order to investigate the endothermic effect, Experiment 2 was stopped directly after the melting effect. During Experiment 2 a technical error in the equipment occurred. Therefore, the results of Experiment 2 were discarded.


Experiment 3 was performed to investigate the endothermic effect found in Experiment 1 and was directly stopped after the melting effect. From the DSC curve obtained, the extrapolated onset temperature was 133.426°C. After the experiment, a molten off-white residue remained in the sample container (original colour: off-white). It demonstrated that melting was the reason for the endothermic effect.


Boiling of the test material was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test material has no boiling temperature.

Applicant's summary and conclusion

Conclusions:
The boiling temperature of JNJ-63632283-AAA (T003665) were tested by DSC.
Reaction and/or decomposition of the test material was observed during DSC experiment starting at 225°C. Boiling of the test material was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test material has no boiling temperature.